# generated using pymatgen
data_CrNiH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27082071
_cell_length_b   14.08689868
_cell_length_c   16.08205645
_cell_angle_alpha   101.77060080
_cell_angle_beta   95.39793882
_cell_angle_gamma   90.00486954
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiH48Pd2(C19N3)4
_chemical_formula_sum   'Cr1 Ni1 H48 Pd2 C76 N12'
_cell_volume   1605.07594971
_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
  Ni  Ni0  1  0.50097638  0.99989213  0.50121244  1
  Cr  Cr1  1  0.49987559  0.49978648  0.49817720  1
  H  H2  1  0.55967593  0.98989297  0.68473625  1
  H  H3  1  0.44118206  0.01061095  0.31688477  1
  H  H4  1  0.56633044  0.09447950  0.82913660  1
  H  H5  1  0.43316858  0.90598730  0.17249338  1
  H  H6  1  0.48464689  0.33968449  0.70730387  1
  H  H7  1  0.51562215  0.66094262  0.29428203  1
  H  H8  1  0.48489035  0.22600998  0.56860555  1
  H  H9  1  0.51600286  0.77453935  0.43296519  1
  H  H10  1  0.77295407  0.52203015  0.36403160  1
  H  H11  1  0.22730978  0.47514227  0.63684078  1
  H  H12  1  0.78007167  0.49284235  0.20810080  1
  H  H13  1  0.22134316  0.50544196  0.79176421  1
  H  H14  1  0.20525983  0.40415999  0.18113239  1
  H  H15  1  0.79369856  0.59718071  0.81837248  1
  H  H16  1  0.21203203  0.44061012  0.33791126  1
  H  H17  1  0.78611588  0.56372468  0.66278759  1
  H  H18  1  0.47462123  0.20354219  0.32173775  1
  H  H19  1  0.52527740  0.79660059  0.67828810  1
  H  H20  1  0.19256027  0.11159881  0.25039868  1
  H  H21  1  0.80724752  0.88850063  0.74970026  1
  H  H22  1  0.16206556  0.05094101  0.09147515  1
  H  H23  1  0.83762497  0.94907890  0.90864076  1
  H  H24  1  0.41324764  0.08627048  0.00626447  1
  H  H25  1  0.58637919  0.91362671  0.99379663  1
  H  H26  1  0.77814418  0.27223811  0.31445533  1
  H  H27  1  0.22202431  0.72741049  0.68550861  1
  H  H28  1  0.03854250  0.29758683  0.23060865  1
  H  H29  1  0.96161578  0.70209035  0.76920467  1
  H  H30  1  0.00282683  0.24447897  0.07106616  1
  H  H31  1  0.99688447  0.75533762  0.92872483  1
  H  H32  1  0.71279323  0.15909675  0.99826849  1
  H  H33  1  0.28684446  0.84075721  0.00170381  1
  H  H34  1  0.11726067  0.15677508  0.95025334  1
  H  H35  1  0.88252882  0.84328304  0.04984300  1
  H  H36  1  0.16573264  0.98635117  0.87625384  1
  H  H37  1  0.83402698  0.01370875  0.12381868  1
  H  H38  1  0.12485540  0.94217649  0.71571300  1
  H  H39  1  0.87488989  0.05793088  0.28435657  1
  H  H40  1  0.03589214  0.06745924  0.63270198  1
  H  H41  1  0.96380383  0.93268449  0.36738137  1
  H  H42  1  0.96406770  0.23512648  0.62744831  1
  H  H43  1  0.03537051  0.76506681  0.37278059  1
  H  H44  1  0.91364582  0.40530520  0.70145003  1
  H  H45  1  0.08598837  0.59491625  0.29876906  1
  H  H46  1  0.94889202  0.44931871  0.86130517  1
  H  H47  1  0.05034249  0.55069889  0.13889413  1
  H  H48  1  0.03860605  0.32371869  0.94514648  1
  H  H49  1  0.96093334  0.67628013  0.05497194  1
  Pd  Pd50  1  0.99419850  0.23665302  0.46360317  1
  Pd  Pd51  1  0.00754940  0.76246422  0.53516684  1
  C  C52  1  0.54205399  0.06768037  0.69234235  1
  C  C53  1  0.45857349  0.93280738  0.30930883  1
  C  C54  1  0.54506277  0.12579821  0.77293178  1
  C  C55  1  0.45480922  0.87460595  0.22865231  1
  C  C56  1  0.52238729  0.22676389  0.78103032  1
  C  C57  1  0.47739497  0.77358005  0.22033907  1
  C  C58  1  0.50122073  0.26281399  0.70499368  1
  C  C59  1  0.49915060  0.73777264  0.29649253  1
  C  C60  1  0.50032828  0.19856436  0.62729432  1
  C  C61  1  0.50050525  0.80202456  0.37427785  1
  C  C62  1  0.52069694  0.28813255  0.86128722  1
  C  C63  1  0.47884355  0.71194323  0.13994212  1
  C  C64  1  0.51336901  0.33520948  0.93513362  1
  C  C65  1  0.48639840  0.66416969  0.06628693  1
  C  C66  1  0.79255354  0.13905740  0.45730148  1
  C  C67  1  0.20947594  0.86052738  0.54448991  1
  C  C68  1  0.19238363  0.33639007  0.47340514  1
  C  C69  1  0.80792591  0.66261757  0.52066165  1
  C  C70  1  0.81068354  0.34200801  0.47934679  1
  C  C71  1  0.18878260  0.65693747  0.51208095  1
  C  C72  1  0.18220703  0.13315916  0.45489415  1
  C  C73  1  0.81989296  0.86622989  0.54678888  1
  C  C74  1  0.64756161  0.49716034  0.32272678  1
  C  C75  1  0.35291978  0.50232546  0.67726777  1
  C  C76  1  0.65398997  0.47941617  0.23532209  1
  C  C77  1  0.34715967  0.51986676  0.76483105  1
  C  C78  1  0.49430161  0.44271062  0.18117131  1
  C  C79  1  0.50589977  0.55726745  0.81956112  1
  C  C80  1  0.33215561  0.42996773  0.22032689  1
  C  C81  1  0.66662460  0.57091256  0.77959527  1
  C  C82  1  0.33744973  0.45112619  0.30841835  1
  C  C83  1  0.66046047  0.55099764  0.69137306  1
  C  C84  1  0.49721527  0.41621138  0.09261360  1
  C  C85  1  0.50315117  0.58315948  0.90852719  1
  C  C86  1  0.50245793  0.38097100  0.01552680  1
  C  C87  1  0.49785418  0.61809862  0.98581536  1
  C  C88  1  0.45939962  0.17721766  0.25275903  1
  C  C89  1  0.54058223  0.82268997  0.74729180  1
  C  C90  1  0.30197648  0.12625276  0.21246247  1
  C  C91  1  0.69791062  0.87371373  0.78763350  1
  C  C92  1  0.28456498  0.09249520  0.12330748  1
  C  C93  1  0.71521712  0.90745661  0.87678675  1
  C  C94  1  0.42419823  0.11116883  0.07544306  1
  C  C95  1  0.57554551  0.88873002  0.92461609  1
  C  C96  1  0.60560512  0.19553600  0.20563592  1
  C  C97  1  0.39435399  0.80432332  0.79436264  1
  C  C98  1  0.76948315  0.24552284  0.24545006  1
  C  C99  1  0.23061424  0.75423664  0.75446227  1
  C  C100  1  0.91153107  0.26127995  0.19796974  1
  C  C101  1  0.08853726  0.73848530  0.80188957  1
  C  C102  1  0.89192728  0.23034519  0.10843538  1
  C  C103  1  0.10792309  0.76946560  0.89142918  1
  C  C104  1  0.73258608  0.18145748  0.06768408  1
  C  C105  1  0.26718111  0.81835265  0.93228437  1
  C  C106  1  0.58744199  0.16207235  0.11498565  1
  C  C107  1  0.41238745  0.83777161  0.88502589  1
  C  C108  1  0.04831792  0.20835906  0.83454395  1
  C  C109  1  0.95128199  0.79169512  0.16557040  1
  C  C110  1  0.09847827  0.13539297  0.88077274  1
  C  C111  1  0.90120877  0.86465804  0.11932641  1
  C  C112  1  0.12548811  0.04101778  0.83898432  1
  C  C113  1  0.87421527  0.95904491  0.16109490  1
  C  C114  1  0.10213492  0.01614576  0.74912418  1
  C  C115  1  0.89754105  0.98395884  0.25094885  1
  C  C116  1  0.05374157  0.08596190  0.70223584  1
  C  C117  1  0.94594822  0.91416074  0.29785078  1
  C  C118  1  0.02676702  0.18307456  0.74329627  1
  C  C119  1  0.97283346  0.81701931  0.25682953  1
  C  C120  1  0.97938493  0.25614500  0.69694827  1
  C  C121  1  0.02013405  0.74401912  0.30324010  1
  C  C122  1  0.95225623  0.35044085  0.73859698  1
  C  C123  1  0.04724770  0.64970820  0.26155455  1
  C  C124  1  0.97281741  0.37528121  0.82851473  1
  C  C125  1  0.02663419  0.62478962  0.17164094  1
  C  C126  1  0.02069042  0.30545923  0.87554873  1
  C  C127  1  0.97883262  0.69458174  0.12457071  1
  N  N128  1  0.51761707  0.10219877  0.62023933  1
  N  N129  1  0.48339301  0.89837643  0.38148782  1
  N  N130  1  0.67772795  0.08271291  0.46195454  1
  N  N131  1  0.32419676  0.91720425  0.54047804  1
  N  N132  1  0.31022472  0.39525569  0.48090025  1
  N  N133  1  0.68911472  0.60407739  0.51205061  1
  N  N134  1  0.70062856  0.40287487  0.49157280  1
  N  N135  1  0.29872540  0.59607872  0.49956978  1
  N  N136  1  0.49272444  0.48315826  0.36033683  1
  N  N137  1  0.50619248  0.51792909  0.63893494  1
  N  N138  1  0.29680004  0.07524689  0.45769268  1
  N  N139  1  0.70541998  0.92436804  0.54486794  1
