[CIF]
data_TiBr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10714038
_cell_length_b   5.10714038
_cell_length_c   5.10714038
_cell_angle_alpha   125.43761243
_cell_angle_beta   125.43761243
_cell_angle_gamma   80.81444611
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBr2Cl
_chemical_formula_sum   'Ti1 Br2 Cl1'
_cell_volume   85.24087422
_cell_formula_units_Z   1
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
  Br  Br0  1  0.00000000  -0.00000000  3.88886573  1
  Br  Br1  1  -0.00000000  2.34089793  1.94443287  1
  Cl  Cl2  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti3  1  2.34089793  -0.00000000  1.94443287  1
[/CIF]
