data_[Cs4Cu2Te4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9282]
_cell_length_b [12.2456]
_cell_length_c [9.0059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Cu(TeSe3)2]
_chemical_formula_sum '[Cs4 Cu2 Te4 Se12]'
_cell_volume [732.8464]
_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  4  0.0000  0.1658  0.0000  1
  Cu  Cu1  2  0.0000  0.0000  0.5000  1
  Te  Te2  4  0.0000  0.3301  0.5000  1
  Se  Se3  8  0.2261  0.1600  0.6799  1
  Se  Se4  4  0.2389  0.0000  0.3362  1
]