# generated using pymatgen
data_Zr(TiH2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74959758
_cell_length_b   5.74959758
_cell_length_c   5.74959758
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr(TiH2)2
_chemical_formula_sum   'Zr2 Ti4 H8'
_cell_volume   134.39940622
_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  0.25000000  0.25000000  0.25000000  1.0
  Zr  Zr1  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti2  1  0.12500000  0.62500000  0.62500000  1.0
  Ti  Ti3  1  0.62500000  0.62500000  0.12500000  1.0
  Ti  Ti4  1  0.62500000  0.12500000  0.62500000  1.0
  Ti  Ti5  1  0.62500000  0.62500000  0.62500000  1.0
  H  H6  1  0.43287987  0.85570604  0.85570604  1.0
  H  H7  1  0.85570604  0.85570604  0.43287987  1.0
  H  H8  1  0.85570604  0.43287987  0.85570604  1.0
  H  H9  1  0.85570604  0.85570604  0.85570604  1.0
  H  H10  1  0.81712013  0.39429396  0.39429396  1.0
  H  H11  1  0.39429396  0.39429396  0.81712013  1.0
  H  H12  1  0.39429396  0.81712013  0.39429396  1.0
  H  H13  1  0.39429396  0.39429396  0.39429396  1.0