# generated using pymatgen
data_NiH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10810775
_cell_length_b   5.10810775
_cell_length_c   2.34043200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999671
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH3
_chemical_formula_sum   'Ni2 H6'
_cell_volume   52.88673693
_cell_formula_units_Z   2
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  0.33333300  0.66666700  0.75000000  1.0
  Ni  Ni1  1  0.66666700  0.33333300  0.25000000  1.0
  H  H2  1  0.20955000  0.41910000  0.25000000  1.0
  H  H3  1  0.58090000  0.79045000  0.25000000  1.0
  H  H4  1  0.20955000  0.79045000  0.25000000  1.0
  H  H5  1  0.79045000  0.58090000  0.75000000  1.0
  H  H6  1  0.41910000  0.20955000  0.75000000  1.0
  H  H7  1  0.79045000  0.20955000  0.75000000  1.0