# generated using pymatgen
data_TiBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50243198
_cell_length_b   6.63715252
_cell_length_c   7.41561035
_cell_angle_alpha   64.16313216
_cell_angle_beta   64.69061626
_cell_angle_gamma   60.68592121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBr3
_chemical_formula_sum   'Ti2 Br6'
_cell_volume   241.63311592
_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  0.33779162  0.82488639  0.99943584  1.0
  Ti  Ti1  1  0.66257292  0.17478862  0.00050385  1.0
  Br  Br2  1  0.27952912  0.42303028  0.23166014  1.0
  Br  Br3  1  0.72083638  0.57686886  0.76809897  1.0
  Br  Br4  1  0.56222269  0.77899044  0.23129324  1.0
  Br  Br5  1  0.43744511  0.22119523  0.76890024  1.0
  Br  Br6  1  0.08018333  0.93274283  0.76923583  1.0
  Br  Br7  1  0.91941984  0.06750135  0.23087289  1.0