data_[K4Cu2Te6]
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
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.4557]
_cell_length_b [7.4557]
_cell_length_c [12.0693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K2CuTe3]
_chemical_formula_sum '[K4 Cu2 Te6]'
_cell_volume [581.0143]
_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  2  0.3333  0.6667  0.7500  1
  K  K1  1  0.0000  0.0000  0.0000  1
  K  K2  1  0.0000  0.0000  0.5000  1
  Cu  Cu3  2  0.3333  0.6667  0.1949  1
  Te  Te4  6  0.1498  0.2996  0.2505  1
]