data_[K1Sb4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [9.7150]
_cell_length_b [9.7150]
_cell_length_c [4.6044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [K(Sb2Pb3)2]
_chemical_formula_sum '[K1 Sb4 Pb6]'
_cell_volume [376.3430]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb1  3  0.3609  0.1805  0.5000  1.0
  Sb  Sb2  1  0.3333  0.6667  0.0000  1.0
  Pb  Pb3  3  0.1935  0.3871  0.5000  1.0
  Pb  Pb4  3  0.5451  0.0903  0.0000  1.0
]