# generated using pymatgen
data_NiH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63877116
_cell_length_b   5.14902401
_cell_length_c   50.06950800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH
_chemical_formula_sum   'Ni32 H32'
_cell_volume   938.108315096
_cell_formula_units_Z   32
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  1.014003  0.388701  0.271456  1
  Ni  Ni2  1  0.514003  0.638701  0.294421  1
  Ni  Ni3  1  0.514003  0.138701  0.294421  1
  Ni  Ni4  1  1.014003  0.888701  0.271456  1
  Ni  Ni5  1  1.014003  0.888701  0.322105  1
  Ni  Ni6  1  0.514003  0.138701  0.349248  1
  Ni  Ni7  1  0.514003  0.638701  0.349248  1
  Ni  Ni8  1  1.014003  0.388701  0.322105  1
  Ni  Ni9  1  1.014003  0.388701  0.377725  1
  Ni  Ni10  1  0.514003  0.638701  0.405578  1
  Ni  Ni11  1  0.514003  0.138701  0.405578  1
  Ni  Ni12  1  1.014003  0.888701  0.377725  1
  Ni  Ni13  1  1.014003  0.888701  0.433533  1
  Ni  Ni14  1  0.514003  0.138701  0.461473  1
  Ni  Ni15  1  0.514003  0.638701  0.461473  1
  Ni  Ni16  1  1.014003  0.388701  0.433533  1
  Ni  Ni17  1  1.014003  0.388701  0.489427  1
  Ni  Ni18  1  0.514003  0.638701  0.517366  1
  Ni  Ni19  1  0.514003  0.138701  0.517366  1
  Ni  Ni20  1  1.014003  0.888701  0.489427  1
  Ni  Ni21  1  1.014003  0.888701  0.545321  1
  Ni  Ni22  1  0.514003  0.138701  0.573174  1
  Ni  Ni23  1  0.514003  0.638701  0.573174  1
  Ni  Ni24  1  1.014003  0.388701  0.545321  1
  Ni  Ni25  1  1.014003  0.388701  0.601652  1
  Ni  Ni26  1  0.514003  0.638701  0.628795  1
  Ni  Ni27  1  0.514003  0.138701  0.628795  1
  Ni  Ni28  1  1.014003  0.888701  0.601652  1
  Ni  Ni29  1  1.014003  0.888701  0.656479  1
  Ni  Ni30  1  0.514003  0.138701  0.679444  1
  Ni  Ni31  1  0.514003  0.638701  0.679444  1
  Ni  Ni32  1  1.014003  0.388701  0.656479  1
  H  H33  1  0.514003  0.388701  0.267639  1
  H  H34  1  1.014003  0.638701  0.293113  1
  H  H35  1  1.014003  0.138701  0.293113  1
  H  H36  1  0.514003  0.888701  0.267639  1
  H  H37  1  0.514003  0.888701  0.321819  1
  H  H38  1  1.014003  0.138701  0.350124  1
  H  H39  1  1.014003  0.638701  0.350124  1
  H  H40  1  0.514003  0.388701  0.321819  1
  H  H41  1  0.514003  0.388701  0.377613  1
  H  H42  1  1.014003  0.638701  0.405592  1
  H  H43  1  1.014003  0.138701  0.405592  1
  H  H44  1  0.514003  0.888701  0.377613  1
  H  H45  1  0.514003  0.888701  0.433519  1
  H  H46  1  1.014003  0.138701  0.461480  1
  H  H47  1  1.014003  0.638701  0.461480  1
  H  H48  1  0.514003  0.388701  0.433519  1
  H  H49  1  0.514003  0.388701  0.489420  1
  H  H50  1  1.014003  0.638701  0.517381  1
  H  H51  1  1.014003  0.138701  0.517381  1
  H  H52  1  0.514003  0.888701  0.489420  1
  H  H53  1  0.514003  0.888701  0.545308  1
  H  H54  1  1.014003  0.138701  0.573286  1
  H  H55  1  1.014003  0.638701  0.573286  1
  H  H56  1  0.514003  0.388701  0.545308  1
  H  H57  1  0.514003  0.388701  0.600776  1
  H  H58  1  1.014003  0.638701  0.629081  1
  H  H59  1  1.014003  0.138701  0.629081  1
  H  H60  1  0.514003  0.888701  0.600776  1
  H  H61  1  0.514003  0.888701  0.657787  1
  H  H62  1  1.014003  0.138701  0.683261  1
  H  H63  1  1.014003  0.638701  0.683261  1
  H  H64  1  0.514003  0.388701  0.657787  1
