data_Cs3Br2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.23
_cell_length_b   10.23
_cell_length_c   10.23
_cell_angle_alpha   52.05
_cell_angle_beta   52.05
_cell_angle_gamma   52.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs3Br2
_chemical_formula_sum   'Cs6 Br4'
_cell_volume   616.25
_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  Cs4  1  0.46  0.66  0.03  1.0
  Cs  Cs5  1  0.97  0.93  0.03  1.0
  Cs  Cs6  1  0.57  0.41  0.03  1.0
  Cs  Cs7  1  0.43  0.59  0.44  1.0
  Cs  Cs8  1  0.03  0.07  0.44  1.0
  Cs  Cs9  1  0.54  0.34  0.44  1.0
  Br  Br0  1  0.0  0.0  0.93  1.0
  Br  Br1  1  0.0  0.0  0.31  1.0
  Br  Br2  1  0.0  0.0  0.16  1.0
  Br  Br3  1  0.0  0.0  0.54  1.0

data_Cs3Br2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   8.98
_cell_length_b   8.98
_cell_length_c   10.23
_cell_angle_alpha   63.98
_cell_angle_beta   63.98
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cs3Br2
_chemical_formula_sum   'Cs6 Br4'
_cell_volume   616.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.07  0.71  0.7  1.0
  Cs  Cs1  2  0.34  0.71  0.91  1.0
  Cs  Cs2  2  0.41  0.29  0.23  1.0
  Br  Br3  2  0.0  0.19  0.31  1.0
  Br  Br4  2  0.0  0.43  0.07  1.0

Cs Cs Cs Cs Cs Cs Br Br Br Br
Cs Cs Cs Cs Cs Cs Br Br Br Br 0 2 o o o 1 6 + + - 3 5 o o o 4 9 o o o 7 8 o o o 