# generated using pymatgen
data_CsTiBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62652780
_cell_length_b   7.62652871
_cell_length_c   6.53842333
_cell_angle_alpha   90.00003531
_cell_angle_beta   90.00001716
_cell_angle_gamma   119.99993233
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsTiBr3
_chemical_formula_sum   'Cs2 Ti2 Br6'
_cell_volume   329.35004764
_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
  Cs  Cs0  1  0.33333300  0.66666700  0.75007138  1.0
  Cs  Cs1  1  0.66666700  0.33333300  0.24992862  1.0
  Ti  Ti2  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti3  1  0.00000000  0.00000000  0.50000000  1.0
  Br  Br4  1  0.83863217  0.67726534  0.75015286  1.0
  Br  Br5  1  0.83863217  0.16136683  0.75015186  1.0
  Br  Br6  1  0.16136783  0.32273466  0.24984714  1.0
  Br  Br7  1  0.32273466  0.16136783  0.75015186  1.0
  Br  Br8  1  0.67726534  0.83863217  0.24984814  1.0
  Br  Br9  1  0.16136783  0.83863317  0.24984814  1.0