# generated using pymatgen
data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47284242
_cell_length_b   14.39017195
_cell_length_c   54.04555774
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.07650659
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni72 H24'
_cell_volume   1923.18933125
_cell_formula_units_Z   24
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  Ni1  1  0.252202  0.280088  0.371746  1
  Ni  Ni2  1  0.253033  0.588642  0.334694  1
  Ni  Ni3  1  0.254656  0.897569  0.298334  1
  Ni  Ni4  1  0.252640  0.296091  0.324633  1
  Ni  Ni5  1  0.253323  0.572228  0.291318  1
  Ni  Ni6  1  0.255061  0.990742  0.358900  1
  Ni  Ni7  1  0.252211  0.431044  0.353906  1
  Ni  Ni8  1  0.253642  0.733798  0.312485  1
  Ni  Ni9  1  0.251573  0.123513  0.388158  1
  Ni  Ni10  1  0.752869  0.561288  0.374584  1
  Ni  Ni11  1  0.754123  0.864698  0.336222  1
  Ni  Ni12  1  0.751110  0.178050  0.300291  1
  Ni  Ni13  1  0.752141  0.454761  0.315009  1
  Ni  Ni14  1  0.753177  0.851772  0.384083  1
  Ni  Ni15  1  0.751295  0.157664  0.346877  1
  Ni  Ni16  1  0.754732  0.340718  0.285411  1
  Ni  Ni17  1  0.754044  0.717247  0.355283  1
  Ni  Ni18  1  0.756175  0.025615  0.318325  1
  Ni  Ni19  1  0.253099  0.364539  0.482323  1
  Ni  Ni20  1  0.253258  0.671465  0.445111  1
  Ni  Ni21  1  0.253900  0.975602  0.407502  1
  Ni  Ni22  1  0.253012  0.377929  0.434881  1
  Ni  Ni23  1  0.253756  0.686731  0.396919  1
  Ni  Ni24  1  0.253733  0.072570  0.471525  1
  Ni  Ni25  1  0.252427  0.514076  0.462948  1
  Ni  Ni26  1  0.252706  0.819848  0.425482  1
  Ni  Ni27  1  0.252358  0.207526  0.500083  1
  Ni  Ni28  1  0.752863  0.643165  0.485281  1
  Ni  Ni29  1  0.753184  0.948209  0.447987  1
  Ni  Ni30  1  0.751999  0.252696  0.411574  1
  Ni  Ni31  1  0.752440  0.547061  0.422129  1
  Ni  Ni32  1  0.752387  0.934105  0.496086  1
  Ni  Ni33  1  0.752296  0.238651  0.459217  1
  Ni  Ni34  1  0.752865  0.410795  0.394471  1
  Ni  Ni35  1  0.753853  0.799942  0.467565  1
  Ni  Ni36  1  0.753898  0.103876  0.430339  1
  Ni  Ni37  1  0.254007  0.449009  0.593150  1
  Ni  Ni38  1  0.252823  0.753496  0.556736  1
  Ni  Ni39  1  0.253144  0.058540  0.519442  1
  Ni  Ni40  1  0.253711  0.463054  0.545506  1
  Ni  Ni41  1  0.253619  0.767600  0.508637  1
  Ni  Ni42  1  0.253566  0.154644  0.582594  1
  Ni  Ni43  1  0.252108  0.597829  0.574384  1
  Ni  Ni44  1  0.252154  0.901763  0.537159  1
  Ni  Ni45  1  0.253141  0.290910  0.610252  1
  Ni  Ni46  1  0.752106  0.726103  0.597221  1
  Ni  Ni47  1  0.752748  0.030240  0.559613  1
  Ni  Ni48  1  0.752907  0.337166  0.522400  1
  Ni  Ni49  1  0.752273  0.629135  0.533199  1
  Ni  Ni50  1  0.752251  0.014974  0.607804  1
  Ni  Ni51  1  0.752994  0.323776  0.569842  1
  Ni  Ni52  1  0.753648  0.494179  0.504641  1
  Ni  Ni53  1  0.753300  0.881857  0.579242  1
  Ni  Ni54  1  0.753579  0.187629  0.541776  1
  Ni  Ni55  1  0.254897  0.523655  0.704432  1
  Ni  Ni56  1  0.251883  0.837007  0.668501  1
  Ni  Ni57  1  0.253137  0.140417  0.630140  1
  Ni  Ni58  1  0.254711  0.544041  0.657846  1
  Ni  Ni59  1  0.252829  0.849933  0.620641  1
  Ni  Ni60  1  0.253865  0.246944  0.689715  1
  Ni  Ni61  1  0.249832  0.676090  0.686399  1
  Ni  Ni62  1  0.251962  0.984458  0.649440  1
  Ni  Ni63  1  0.251275  0.360987  0.719313  1
  Ni  Ni64  1  0.751350  0.804135  0.706389  1
  Ni  Ni65  1  0.752974  0.113063  0.670029  1
  Ni  Ni66  1  0.753805  0.421617  0.632978  1
  Ni  Ni67  1  0.750946  0.710963  0.645823  1
  Ni  Ni68  1  0.752683  0.129477  0.713405  1
  Ni  Ni69  1  0.753367  0.405614  0.680091  1
  Ni  Ni70  1  0.754433  0.578192  0.616566  1
  Ni  Ni71  1  0.752365  0.967907  0.692238  1
  Ni  Ni72  1  0.753796  0.270661  0.650818  1
  H  H73  1  0.752359  0.318372  0.349126  1
  H  H74  1  0.753452  0.639604  0.304703  1
  H  H75  1  0.753789  0.010305  0.383751  1
  H  H76  1  0.253389  0.434108  0.288019  1
  H  H77  1  0.253775  0.828909  0.359670  1
  H  H78  1  0.252373  0.133488  0.318741  1
  H  H79  1  0.752895  0.402895  0.459060  1
  H  H80  1  0.753292  0.707063  0.421516  1
  H  H81  1  0.753172  0.094932  0.495968  1
  H  H82  1  0.252719  0.523046  0.397971  1
  H  H83  1  0.253051  0.912798  0.471571  1
  H  H84  1  0.252576  0.215139  0.434847  1
  H  H85  1  0.753430  0.486566  0.569876  1
  H  H86  1  0.752955  0.788907  0.533153  1
  H  H87  1  0.753287  0.178659  0.606752  1
  H  H88  1  0.252835  0.606773  0.508755  1
  H  H89  1  0.252715  0.994642  0.583207  1
  H  H90  1  0.253111  0.298810  0.545663  1
  H  H91  1  0.753633  0.568217  0.685983  1
  H  H92  1  0.752231  0.872796  0.645053  1
  H  H93  1  0.752617  0.267597  0.716704  1
  H  H94  1  0.252217  0.691400  0.620973  1
  H  H95  1  0.252554  0.062101  0.700020  1
  H  H96  1  0.253647  0.383333  0.655597  1
