data_CsSnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   8.11
_cell_length_c   8.12
_cell_angle_alpha   102.65
_cell_angle_beta   106.5
_cell_angle_gamma   113.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsSnSe3
_chemical_formula_sum   'Cs2 Sn2 Se6'
_cell_volume   385.79
_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  0.25  0.71  0.85  1.0
  Cs  Cs1  1  0.4  0.76  0.35  1.0
  Sn  Sn2  1  0.63  0.8  0.55  1.0
  Sn  Sn3  1  0.02  0.68  0.65  1.0
  Se  Se4  1  0.49  0.5  0.71  1.0
  Se  Se5  1  0.09  0.28  0.87  1.0
  Se  Se6  1  0.16  0.97  0.49  1.0
  Se  Se7  1  0.02  0.15  0.13  1.0
  Se  Se8  1  0.62  0.33  0.07  1.0
  Se  Se9  1  0.56  0.19  0.33  1.0

data_CsSnSe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.21
_cell_length_b   8.11
_cell_length_c   8.12
_cell_angle_alpha   102.65
_cell_angle_beta   106.5
_cell_angle_gamma   113.74
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CsSnSe3
_chemical_formula_sum   'Cs2 Sn2 Se6'
_cell_volume   385.79
_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  0.08  0.52  0.25  1.0
  Sn  Sn1  2  0.3  0.56  0.45  1.0
  Se  Se2  2  0.17  0.27  0.61  1.0
  Se  Se3  2  0.23  0.96  0.23  1.0
  Se  Se4  2  0.3  0.09  0.97  1.0

Cs Cs Sn Sn Se Se Se Se Se Se