data_[K3Cu12Sb6]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3129]
_cell_length_b [4.3129]
_cell_length_c [27.1042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K(Cu2Sb)2]
_chemical_formula_sum '[K3 Cu12 Sb6]'
_cell_volume [436.6217]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  6  0.0000  0.0000  0.1428  1.0
  Cu  Cu2  6  0.0000  0.0000  0.4517  1.0
  Sb  Sb3  6  0.0000  0.0000  0.2427  1.0
]