data_[K4Cu4Te2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [15.2553]
_cell_length_b [4.1187]
_cell_length_c [7.7863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Cu2TeSe4]
_chemical_formula_sum '[K4 Cu4 Te2 Se8]'
_cell_volume [457.0623]
_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
[
  K  K0  4  0.1368  0.0000  0.5577  1.0
  Cu  Cu1  4  0.1947  0.5000  0.9949  1.0
  Te  Te2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0249  0.5000  0.7714  1.0
  Se  Se4  4  0.1990  0.0000  0.1816  1.0
]