# generated using pymatgen
data_Ti2GaH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13929192
_cell_length_b   5.13929250
_cell_length_c   5.13929299
_cell_angle_alpha   104.48495575
_cell_angle_beta   104.48495304
_cell_angle_gamma   119.98335555
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2GaH
_chemical_formula_sum   'Ti4 Ga2 H2'
_cell_volume   101.81404098
_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  0.15776959  0.65776959  0.81554119  1.0
  Ti  Ti1  1  0.84223041  0.34223041  0.18445881  1.0
  Ti  Ti2  1  0.34223041  0.15776959  0.50000000  1.0
  Ti  Ti3  1  0.65776959  0.84223041  0.50000000  1.0
  Ga  Ga4  1  0.25000000  0.25000000  0.00000000  1.0
  Ga  Ga5  1  0.75000000  0.75000000  0.00000000  1.0
  H  H6  1  0.75000000  0.25000000  0.50000000  1.0
  H  H7  1  0.25000000  0.75000000  0.50000000  1.0