# generated using pymatgen
data_ZrNiH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50849118
_cell_length_b   4.29288545
_cell_length_c   5.52038354
_cell_angle_alpha   90.00000000
_cell_angle_beta   108.52845585
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNiH3
_chemical_formula_sum   'Zr2 Ni2 H6'
_cell_volume   78.83576680
_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  0.86160711  0.25000000  0.72321523  1.0
  Zr  Zr1  1  0.13839289  0.75000000  0.27678477  1.0
  Ni  Ni2  1  0.56918809  0.25000000  0.13837718  1.0
  Ni  Ni3  1  0.43081191  0.75000000  0.86162282  1.0
  H  H4  1  0.68684071  0.99850769  0.37368141  1.0
  H  H5  1  0.31315929  0.00149231  0.62631859  1.0
  H  H6  1  0.31315929  0.49850769  0.62631859  1.0
  H  H7  1  0.68684071  0.50149231  0.37368141  1.0
  H  H8  1  0.06912409  0.25000000  0.13824818  1.0
  H  H9  1  0.93087591  0.75000000  0.86175182  1.0