# generated using pymatgen
data_ZrNb(NiH3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38636507
_cell_length_b   5.38636550
_cell_length_c   4.24441925
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   142.28850739
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNb(NiH3)2
_chemical_formula_sum   'Zr1 Nb1 Ni2 H6'
_cell_volume   75.32484249
_cell_formula_units_Z   1
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  0.13940057  0.86059943  0.25000000  1.0
  Nb  Nb1  1  0.86128692  0.13871308  0.75000000  1.0
  Ni  Ni2  1  0.56665781  0.43334219  0.75000000  1.0
  Ni  Ni3  1  0.42903155  0.57096845  0.25000000  1.0
  H  H4  1  0.06342469  0.93657531  0.75000000  1.0
  H  H5  1  0.92426223  0.07573777  0.25000000  1.0
  H  H6  1  0.69111258  0.30888742  0.50577878  1.0
  H  H7  1  0.31685554  0.68314446  0.51816732  1.0
  H  H8  1  0.69111258  0.30888742  0.99422122  1.0
  H  H9  1  0.31685554  0.68314446  0.98183268  1.0