data_[Cs8Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.1264]
_cell_length_b [11.7591]
_cell_length_c [8.5379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2Se3]
_chemical_formula_sum '[Cs8 Se12]'
_cell_volume [815.8742]
_cell_formula_units_Z [4]
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  4  0.0000  0.0978  0.0402  1.0
  Cs  Cs1  4  0.0000  0.4175  0.8213  1.0
  Se  Se2  8  0.2364  0.1629  0.6658  1.0
  Se  Se3  4  0.0000  0.2075  0.5078  1.0
]