data_[K12Sn8Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.6784]
_cell_length_b [12.6373]
_cell_length_c [16.2034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K3Sn2Sb3]
_chemical_formula_sum '[K12 Sn8 Sb12]'
_cell_volume [1162.7503]
_cell_formula_units_Z [4]
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  8  0.0000  0.0661  0.6154  1.0
  K  K1  4  0.0000  0.3440  0.7500  1.0
  Sn  Sn2  8  0.0000  0.2264  0.0933  1.0
  Sb  Sb3  8  0.0000  0.3904  0.5378  1.0
  Sb  Sb4  4  0.0000  0.3580  0.2500  1.0
]