data_CsSeBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   9.32
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   99.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsSeBr3
_chemical_formula_sum   'Cs2 Se2 Br6'
_cell_volume   427.34
_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  0.35  0.99  0.85  1.0
  Cs  Cs1  1  0.45  0.33  0.73  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.66  0.0  1.0
  Br  Br4  1  0.47  0.21  0.34  1.0
  Br  Br5  1  0.32  0.87  0.24  1.0
  Br  Br6  1  0.47  0.45  0.34  1.0
  Br  Br7  1  0.32  0.11  0.24  1.0
  Br  Br8  1  0.71  0.99  0.79  1.0
  Br  Br9  1  0.09  0.33  0.79  1.0

data_CsSeBr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.05
_cell_length_b   7.68
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsSeBr3
_chemical_formula_sum   'Cs2 Se2 Br6'
_cell_volume   427.34
_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  0.55  0.27  0.67  1.0
  Cs  Cs1  1  0.65  0.15  0.01  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  -0.0  0.34  1.0
  Br  Br4  1  0.29  0.21  0.01  1.0
  Br  Br5  1  0.53  0.66  0.55  1.0
  Br  Br6  1  0.53  0.66  0.79  1.0
  Br  Br7  1  0.68  0.76  0.13  1.0
  Br  Br8  1  0.68  0.76  0.89  1.0
  Br  Br9  1  0.91  0.21  0.67  1.0

Cs Cs Se Se Br Br Br Br Br Br