# generated using pymatgen
data_Mn3NiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11914818
_cell_length_b   10.13496284
_cell_length_c   12.56177992
_cell_angle_alpha   90.03053005
_cell_angle_beta   89.99190939
_cell_angle_gamma   106.43420876
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3NiH28(C7N8)4
_chemical_formula_sum   'Mn3 Ni1 H28 C28 N32'
_cell_volume   991.44383952
_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
  Mn  Mn0  1  0.15689179  0.13069629  0.55206644  1
  Mn  Mn1  1  0.34022542  0.86565397  0.05664064  1
  Ni  Ni2  1  0.83901728  0.86524723  0.44468235  1
  Mn  Mn3  1  0.66009402  0.13426916  0.94674784  1
  H  H4  1  0.11382734  0.44917324  0.57852505  1
  H  H5  1  0.38418367  0.54932970  0.07920225  1
  H  H6  1  0.88539860  0.54998497  0.42009986  1
  H  H7  1  0.61405902  0.44957460  0.92195723  1
  H  H8  1  0.18722922  0.64987809  0.45928988  1
  H  H9  1  0.31076115  0.34924272  0.95962637  1
  H  H10  1  0.81184852  0.35105976  0.53872389  1
  H  H11  1  0.68789328  0.65029198  0.04148473  1
  H  H12  1  0.38992426  0.65504437  0.30338562  1
  H  H13  1  0.11065786  0.34546832  0.80262332  1
  H  H14  1  0.61208938  0.34714733  0.69625168  1
  H  H15  1  0.88984782  0.65527140  0.19741981  1
  H  H16  1  0.50484965  0.45169658  0.27810208  1
  H  H17  1  0.99623582  0.54922256  0.77751827  1
  H  H18  1  0.49725320  0.55087379  0.72147614  1
  H  H19  1  0.00530308  0.45203050  0.22222812  1
  H  H20  1  0.52777216  0.23230498  0.34320566  1
  H  H21  1  0.97422232  0.76884953  0.84287214  1
  H  H22  1  0.47364630  0.76882355  0.65560009  1
  H  H23  1  0.02693747  0.23170050  0.15762643  1
  H  H24  1  0.50406055  0.00682341  0.37655828  1
  H  H25  1  0.99707353  0.99328726  0.87791699  1
  H  H26  1  0.49821871  0.99292660  0.62171492  1
  H  H27  1  0.00352671  0.00694730  0.12314195  1
  H  H28  1  0.33393055  0.90424618  0.45516251  1
  H  H29  1  0.16774898  0.09538460  0.95637484  1
  H  H30  1  0.66850018  0.09662514  0.54296302  1
  H  H31  1  0.83279866  0.90468563  0.04497700  1
  C  C32  1  0.19527534  0.44940709  0.50939858  1
  C  C33  1  0.30304777  0.54956637  0.01002607  1
  C  C34  1  0.80360536  0.55171674  0.48874888  1
  C  C35  1  0.69583892  0.44980839  0.99089377  1
  C  C36  1  0.23985705  0.56425058  0.44273448  1
  C  C37  1  0.25852148  0.43500424  0.94296881  1
  C  C38  1  0.75986752  0.43696049  0.55572966  1
  C  C39  1  0.74062654  0.56464354  0.05764453  1
  C  C40  1  0.35194806  0.56723273  0.35716105  1
  C  C41  1  0.14749329  0.43280201  0.85693901  1
  C  C42  1  0.64893512  0.43429179  0.64182918  1
  C  C43  1  0.85263756  0.56769045  0.14327954  1
  C  C44  1  0.41715596  0.45631091  0.34277109  1
  C  C45  1  0.08289451  0.54404229  0.84260211  1
  C  C46  1  0.58385811  0.54522951  0.65640957  1
  C  C47  1  0.91777951  0.45671711  0.15753624  1
  C  C48  1  0.36391902  0.34270191  0.41193900  1
  C  C49  1  0.13591982  0.65724316  0.91225089  1
  C  C50  1  0.63609344  0.65829856  0.58654713  1
  C  C51  1  0.86454144  0.34308003  0.08834482  1
  C  C52  1  0.42561557  0.22404635  0.40210103  1
  C  C53  1  0.07517207  0.77633716  0.90243291  1
  C  C54  1  0.57522199  0.77770880  0.59655871  1
  C  C55  1  0.92569353  0.22425243  0.09825184  1
  C  C56  1  0.43754899  0.00058261  0.45349362  1
  C  C57  1  0.06363022  0.99935849  0.95487337  1
  C  C58  1  0.56503649  1.00031957  0.54475123  1
  C  C59  1  0.93680366  0.00078854  0.04623021  1
  N  N60  1  0.24900994  0.33675125  0.49298168  1
  N  N61  1  0.24956743  0.66239795  0.99393539  1
  N  N62  1  0.74750639  0.66307801  0.50417709  1
  N  N63  1  0.74990325  0.33720992  0.00710072  1
  N  N64  1  0.36037129  0.11517682  0.45983474  1
  N  N65  1  0.14008281  0.88420490  0.96142062  1
  N  N66  1  0.64159012  0.88557217  0.53885819  1
  N  N67  1  0.86037622  0.11598627  0.03964191  1
  N  N68  1  0.02757675  0.91488304  0.57431513  1
  N  N69  1  0.46946539  0.08588782  0.07409321  1
  N  N70  1  0.96941640  0.08220770  0.42425385  1
  N  N71  1  0.53135626  0.91445254  0.92742587  1
  N  N72  1  0.08597290  0.82772260  0.61173389  1
  N  N73  1  0.40985611  0.17082650  0.11452065  1
  N  N74  1  0.90608424  0.16548561  0.38500627  1
  N  N75  1  0.59028214  0.82927794  0.88664576  1
  N  N76  1  0.14986955  0.74745826  0.64654779  1
  N  N77  1  0.34810692  0.25277038  0.14850827  1
  N  N78  1  0.84727245  0.24992110  0.35226442  1
  N  N79  1  0.65121110  0.74714699  0.85218007  1
  N  N80  1  0.96971402  0.19878893  0.64986387  1
  N  N81  1  0.53091092  0.79952343  0.15437873  1
  N  N82  1  0.02995939  0.79881889  0.35077254  1
  N  N83  1  0.47140969  0.20037815  0.84964063  1
  N  N84  1  0.87588962  0.15919998  0.72307328  1
  N  N85  1  0.62548381  0.83807765  0.22778182  1
  N  N86  1  0.12115635  0.84143883  0.27721318  1
  N  N87  1  0.37682863  0.15991212  0.77676240  1
  N  N88  1  0.77869092  0.11560574  0.79314197  1
  N  N89  1  0.72543568  0.88406777  0.29593694  1
  N  N90  1  0.22054002  0.88586333  0.20800904  1
  N  N91  1  0.27854550  0.11577059  0.70738021  1
