# generated using pymatgen
data_NiH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.00308468
_cell_length_b   3.89760438
_cell_length_c   46.70488821
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH3
_chemical_formula_sum   'Ni14 H42'
_cell_volume   546.673056705
_cell_formula_units_Z   14
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  0.757474  0.812049  0.309450  1
  Ni  Ni2  1  0.257474  0.305061  0.324959  1
  Ni  Ni3  1  0.757474  0.442862  0.368749  1
  Ni  Ni4  1  0.257474  0.937644  0.388984  1
  Ni  Ni5  1  0.757474  0.936529  0.436528  1
  Ni  Ni6  1  0.257474  0.434258  0.456417  1
  Ni  Ni7  1  0.757474  0.534455  0.502010  1
  Ni  Ni8  1  0.257474  0.029304  0.522212  1
  Ni  Ni9  1  0.757474  0.129501  0.567804  1
  Ni  Ni10  1  0.257474  0.627230  0.587693  1
  Ni  Ni11  1  0.757474  0.626115  0.635238  1
  Ni  Ni12  1  0.257474  0.120897  0.655473  1
  Ni  Ni13  1  0.757474  0.258698  0.699262  1
  Ni  Ni14  1  0.257474  0.751710  0.714772  1
  H  H15  1  0.257474  0.607214  0.285374  1
  H  H16  1  0.257474  0.022296  0.287609  1
  H  H17  1  0.257474  0.805643  0.318678  1
  H  H18  1  0.757474  0.512460  0.331716  1
  H  H19  1  0.757474  0.125718  0.333328  1
  H  H20  1  0.757474  0.302447  0.301102  1
  H  H21  1  0.257474  0.204012  0.360501  1
  H  H22  1  0.257474  0.610571  0.357878  1
  H  H23  1  0.257474  0.444590  0.387657  1
  H  H24  1  0.757474  0.140650  0.400615  1
  H  H25  1  0.757474  0.737257  0.399911  1
  H  H26  1  0.757474  0.937956  0.371863  1
  H  H27  1  0.257474  0.733617  0.425369  1
  H  H28  1  0.257474  0.137148  0.425871  1
  H  H29  1  0.257474  0.934834  0.453774  1
  H  H30  1  0.757474  0.660049  0.465605  1
  H  H31  1  0.757474  0.257456  0.467285  1
  H  H32  1  0.757474  0.431059  0.438237  1
  H  H33  1  0.257474  0.306152  0.492395  1
  H  H34  1  0.257474  0.711560  0.491180  1
  H  H35  1  0.257474  0.535927  0.519965  1
  H  H36  1  0.757474  0.257607  0.531827  1
  H  H37  1  0.757474  0.852199  0.533041  1
  H  H38  1  0.757474  0.027832  0.504257  1
  H  H39  1  0.257474  0.903710  0.558617  1
  H  H40  1  0.257474  0.306303  0.556937  1
  H  H41  1  0.257474  0.132700  0.585985  1
  H  H42  1  0.757474  0.830142  0.598853  1
  H  H43  1  0.757474  0.426611  0.598351  1
  H  H44  1  0.757474  0.628925  0.570448  1
  H  H45  1  0.257474  0.423110  0.623607  1
  H  H46  1  0.257474  0.826502  0.624310  1
  H  H47  1  0.257474  0.625803  0.652359  1
  H  H48  1  0.757474  0.359747  0.663721  1
  H  H49  1  0.757474  0.953188  0.666344  1
  H  H50  1  0.757474  0.119169  0.636564  1
  H  H51  1  0.257474  0.051299  0.692506  1
  H  H52  1  0.257474  0.438041  0.690894  1
  H  H53  1  0.257474  0.261312  0.723120  1
  H  H54  1  0.757474  0.956545  0.738848  1
  H  H55  1  0.757474  0.541463  0.736612  1
  H  H56  1  0.757474  0.758117  0.705544  1
