# generated using pymatgen
data_ZrH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33071975
_cell_length_b   3.33071901
_cell_length_c   3.33071920
_cell_angle_alpha   96.98222566
_cell_angle_beta   116.05406980
_cell_angle_gamma   116.05408498
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrH2
_chemical_formula_sum   'Zr1 H2'
_cell_volume   27.46489191
_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  -0.00000000  -0.00000000  0.00000000  1.0
  H  H1  1  0.50000000  0.75000000  0.25000000  1.0
  H  H2  1  0.50000000  0.25000000  0.75000000  1.0