# generated using pymatgen
data_TiBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48987880
_cell_length_b   7.48987880
_cell_length_c   7.48987917
_cell_angle_alpha   51.83781703
_cell_angle_beta   51.83781698
_cell_angle_gamma   51.83780898
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBr3
_chemical_formula_sum   'Ti2 Br6'
_cell_volume   240.06436492
_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  0.33341536  0.33341536  0.33341536  1.0
  Ti  Ti1  1  0.66658464  0.66658464  0.66658464  1.0
  Br  Br2  1  0.43175604  0.72171946  0.07615763  1.0
  Br  Br3  1  0.27828054  0.92384237  0.56824396  1.0
  Br  Br4  1  0.56824396  0.27828054  0.92384237  1.0
  Br  Br5  1  0.07615763  0.43175604  0.72171946  1.0
  Br  Br6  1  0.92384237  0.56824396  0.27828054  1.0
  Br  Br7  1  0.72171946  0.07615763  0.43175604  1.0