data_[Cs8Te4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [15.0916]
_cell_length_b [11.2925]
_cell_length_c [7.4331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2TeSe3]
_chemical_formula_sum '[Cs8 Te4 Se12]'
_cell_volume [1266.7663]
_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  8  0.1593  0.3403  0.4889  1.0
  Te  Te1  4  0.0000  0.1979  0.9560  1.0
  Se  Se2  8  0.1340  0.3336  0.9841  1.0
  Se  Se3  4  0.0000  0.1215  0.6398  1.0
]