# generated using pymatgen
data_ZrNiH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39364273
_cell_length_b   5.39364273
_cell_length_c   4.06792600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   144.12581917
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNiH
_chemical_formula_sum   'Zr2 Ni2 H2'
_cell_volume   69.34903107
_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
  Zr  Zr0  1  0.14267000  0.85733000  0.75000000  1.0
  Zr  Zr1  1  0.85733000  0.14267000  0.25000000  1.0
  Ni  Ni2  1  0.42744200  0.57255800  0.75000000  1.0
  Ni  Ni3  1  0.57255800  0.42744200  0.25000000  1.0
  H  H4  1  0.78275100  0.21724900  0.75000000  1.0
  H  H5  1  0.21724900  0.78275100  0.25000000  1.0