# generated using pymatgen
data_CrFeH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27047059
_cell_length_b   14.08629898
_cell_length_c   16.08216516
_cell_angle_alpha   101.77023205
_cell_angle_beta   95.39777154
_cell_angle_gamma   90.00399070
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeH48Pd2(C19N3)4
_chemical_formula_sum   'Cr1 Fe1 H48 Pd2 C76 N12'
_cell_volume   1604.94431496
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.50095139  1.00001883  0.50120778  1
  Cr  Cr1  1  0.49976900  0.49977319  0.49785802  1
  H  H2  1  0.55985677  0.98957509  0.68625234  1
  H  H3  1  0.44095985  0.01093357  0.31539817  1
  H  H4  1  0.56641054  0.09425928  0.82914708  1
  H  H5  1  0.43309611  0.90618398  0.17245256  1
  H  H6  1  0.48464287  0.33954831  0.70695428  1
  H  H7  1  0.51562550  0.66104332  0.29460755  1
  H  H8  1  0.48488618  0.22777161  0.56909265  1
  H  H9  1  0.51600654  0.77271371  0.43242553  1
  H  H10  1  0.77294308  0.52211674  0.36408445  1
  H  H11  1  0.22756237  0.47516028  0.63672132  1
  H  H12  1  0.78011528  0.49283024  0.20815447  1
  H  H13  1  0.22126714  0.50545760  0.79177235  1
  H  H14  1  0.20522869  0.40420630  0.18121991  1
  H  H15  1  0.79382737  0.59715955  0.81835220  1
  H  H16  1  0.21194643  0.44057034  0.33792897  1
  H  H17  1  0.78585853  0.56365311  0.66258205  1
  H  H18  1  0.47442659  0.20390591  0.32161735  1
  H  H19  1  0.52550429  0.79621099  0.67841081  1
  H  H20  1  0.19244251  0.11160333  0.25020818  1
  H  H21  1  0.80739801  0.88848397  0.74990529  1
  H  H22  1  0.16197957  0.05097811  0.09146126  1
  H  H23  1  0.83771123  0.94904050  0.90865958  1
  H  H24  1  0.41326493  0.08630187  0.00616750  1
  H  H25  1  0.58636609  0.91359575  0.99389011  1
  H  H26  1  0.77813953  0.27236220  0.31445635  1
  H  H27  1  0.22211895  0.72732789  0.68551297  1
  H  H28  1  0.03849099  0.29760976  0.23057272  1
  H  H29  1  0.96162041  0.70204375  0.76924319  1
  H  H30  1  0.00281509  0.24456427  0.07107124  1
  H  H31  1  0.99689047  0.75525417  0.92873101  1
  H  H32  1  0.71254354  0.15913228  0.99823433  1
  H  H33  1  0.28707054  0.84070793  0.00171814  1
  H  H34  1  0.11735236  0.15680771  0.95037072  1
  H  H35  1  0.88244312  0.84324819  0.04973501  1
  H  H36  1  0.16575905  0.98636252  0.87629017  1
  H  H37  1  0.83400748  0.01369474  0.12378154  1
  H  H38  1  0.12457376  0.94224640  0.71583990  1
  H  H39  1  0.87519266  0.05786408  0.28420250  1
  H  H40  1  0.03597550  0.06766209  0.63287188  1
  H  H41  1  0.96372278  0.93248510  0.36721820  1
  H  H42  1  0.96408537  0.23523157  0.62752831  1
  H  H43  1  0.03535412  0.76494868  0.37269631  1
  H  H44  1  0.91369399  0.40532804  0.70148273  1
  H  H45  1  0.08599256  0.59489040  0.29873967  1
  H  H46  1  0.94895238  0.44937583  0.86136633  1
  H  H47  1  0.05029405  0.55065333  0.13885070  1
  H  H48  1  0.03876075  0.32373342  0.94524453  1
  H  H49  1  0.96077756  0.67626872  0.05488405  1
  Pd  Pd50  1  0.99427048  0.23435111  0.46355651  1
  Pd  Pd51  1  0.00722798  0.76476772  0.53487465  1
  C  C52  1  0.54210584  0.06729835  0.69256710  1
  C  C53  1  0.45851270  0.93316131  0.30899146  1
  C  C54  1  0.54515492  0.12563083  0.77294465  1
  C  C55  1  0.45473224  0.87473098  0.22857980  1
  C  C56  1  0.52239935  0.22664621  0.78098989  1
  C  C57  1  0.47741447  0.77363259  0.22031417  1
  C  C58  1  0.50119590  0.26262832  0.70475335  1
  C  C59  1  0.49918693  0.73791275  0.29668901  1
  C  C60  1  0.50016451  0.19875111  0.62708480  1
  C  C61  1  0.50069338  0.80177883  0.37443054  1
  C  C62  1  0.52068805  0.28803839  0.86112618  1
  C  C63  1  0.47888986  0.71206201  0.13999481  1
  C  C64  1  0.51338094  0.33512127  0.93500291  1
  C  C65  1  0.48641247  0.66426056  0.06631149  1
  C  C66  1  0.79130757  0.13727750  0.45893095  1
  C  C67  1  0.21086496  0.86230946  0.54285887  1
  C  C68  1  0.19220449  0.33503791  0.47328217  1
  C  C69  1  0.80820999  0.66386810  0.52092705  1
  C  C70  1  0.81075991  0.34075395  0.47936309  1
  C  C71  1  0.18881257  0.65813609  0.51251049  1
  C  C72  1  0.18512726  0.13160663  0.45678029  1
  C  C73  1  0.81682444  0.86786764  0.54483288  1
  C  C74  1  0.64758725  0.49711976  0.32278094  1
  C  C75  1  0.35290304  0.50236155  0.67732309  1
  C  C76  1  0.65397077  0.47938393  0.23534323  1
  C  C77  1  0.34705184  0.51989223  0.76484503  1
  C  C78  1  0.49431344  0.44268729  0.18109446  1
  C  C79  1  0.50584589  0.55732282  0.81955775  1
  C  C80  1  0.33221499  0.43002381  0.22036030  1
  C  C81  1  0.66668244  0.57094710  0.77962909  1
  C  C82  1  0.33743209  0.45116495  0.30847586  1
  C  C83  1  0.66051894  0.55101982  0.69141442  1
  C  C84  1  0.49726979  0.41610924  0.09249983  1
  C  C85  1  0.50298641  0.58330069  0.90851860  1
  C  C86  1  0.50250829  0.38089840  0.01538515  1
  C  C87  1  0.49773450  0.61823947  0.98582349  1
  C  C88  1  0.45932940  0.17730129  0.25266937  1
  C  C89  1  0.54065764  0.82261010  0.74738063  1
  C  C90  1  0.30188689  0.12634453  0.21232931  1
  C  C91  1  0.69800576  0.87362515  0.78777531  1
  C  C92  1  0.28458274  0.09249638  0.12321457  1
  C  C93  1  0.71519753  0.90745593  0.87688754  1
  C  C94  1  0.42426662  0.11114066  0.07535256  1
  C  C95  1  0.57547054  0.88875586  0.92470469  1
  C  C96  1  0.60557109  0.19553276  0.20556692  1
  C  C97  1  0.39437571  0.80431973  0.79442327  1
  C  C98  1  0.76937126  0.24555295  0.24543919  1
  C  C99  1  0.23070521  0.75419870  0.75447551  1
  C  C100  1  0.91145942  0.26127242  0.19797681  1
  C  C101  1  0.08856486  0.73847709  0.80188629  1
  C  C102  1  0.89195669  0.23035645  0.10844011  1
  C  C103  1  0.10787976  0.76944856  0.89142654  1
  C  C104  1  0.73261844  0.18150319  0.06764759  1
  C  C105  1  0.26715140  0.81830653  0.93230315  1
  C  C106  1  0.58746952  0.16204932  0.11491564  1
  C  C107  1  0.41235593  0.83778920  0.88508305  1
  C  C108  1  0.04834736  0.20847532  0.83467746  1
  C  C109  1  0.95125563  0.79158399  0.16544412  1
  C  C110  1  0.09850419  0.13549366  0.88088928  1
  C  C111  1  0.90118896  0.86455814  0.11921627  1
  C  C112  1  0.12546656  0.04110584  0.83910919  1
  C  C113  1  0.87424272  0.95895716  0.16097144  1
  C  C114  1  0.10210199  0.01623125  0.74927432  1
  C  C115  1  0.89759527  0.98387002  0.25079554  1
  C  C116  1  0.05376494  0.08609574  0.70240359  1
  C  C117  1  0.94593175  0.91403080  0.29768828  1
  C  C118  1  0.02681206  0.18318739  0.74344909  1
  C  C119  1  0.97280102  0.81691303  0.25668227  1
  C  C120  1  0.97945003  0.25619506  0.69704070  1
  C  C121  1  0.02008058  0.74396744  0.30314652  1
  C  C122  1  0.95231103  0.35047729  0.73864690  1
  C  C123  1  0.04718920  0.64966759  0.26151195  1
  C  C124  1  0.97281304  0.37533664  0.82855769  1
  C  C125  1  0.02663811  0.62474119  0.17160809  1
  C  C126  1  0.02072103  0.30559384  0.87564722  1
  C  C127  1  0.97880255  0.69445177  0.12448104  1
  N  N128  1  0.51737529  0.10166149  0.61975940  1
  N  N129  1  0.48363569  0.89881540  0.38182409  1
  N  N130  1  0.67482006  0.08136941  0.46338379  1
  N  N131  1  0.32710510  0.91860805  0.53899352  1
  N  N132  1  0.30894216  0.39454251  0.48096463  1
  N  N133  1  0.69045105  0.60474898  0.51234033  1
  N  N134  1  0.70152528  0.40210191  0.49142174  1
  N  N135  1  0.29801453  0.59680233  0.50021213  1
  N  N136  1  0.49268382  0.48318295  0.36043574  1
  N  N137  1  0.50622776  0.51794588  0.63907210  1
  N  N138  1  0.30143715  0.07430836  0.45989239  1
  N  N139  1  0.70068014  0.92542837  0.54262896  1
