data_[Cs4Cu4Te2Se2]
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 [P2_1/m]
_cell_length_a [7.1680]
_cell_length_b [5.7549]
_cell_length_c [12.8448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs2Cu2TeSe]
_chemical_formula_sum '[Cs4 Cu4 Te2 Se2]'
_cell_volume [529.7129]
_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  2  0.0158  0.7500  0.8313  1
  Cs  Cs1  2  0.4749  0.2500  0.6436  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  Cu  Cu3  2  0.5000  0.0000  0.0000  1
  Te  Te4  2  0.2820  0.7500  0.0938  1
  Se  Se5  2  0.2126  0.7500  0.5743  1
]