# generated using pymatgen
data_TiH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94654600
_cell_length_b   3.94654600
_cell_length_c   3.13590900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiH2
_chemical_formula_sum   'Ti2 H4'
_cell_volume   48.84248929
_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
  Ti  Ti0  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  H  H2  1  0.82657300  0.17342700  0.50000000  1.0
  H  H3  1  0.17342700  0.82657300  0.50000000  1.0
  H  H4  1  0.32657300  0.32657300  0.00000000  1.0
  H  H5  1  0.67342700  0.67342700  0.00000000  1.0