data_[K4Sn12Sb8]
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 [C2/m]
_cell_length_a [17.4682]
_cell_length_b [4.4437]
_cell_length_c [11.0470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KSn3Sb2]
_chemical_formula_sum '[K4 Sn12 Sb8]'
_cell_volume [817.3341]
_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  4  0.1247  0.0000  0.0375  1.0
  Sn  Sn1  4  0.0691  0.0000  0.4085  1.0
  Sn  Sn2  4  0.1097  0.5000  0.6529  1.0
  Sn  Sn3  4  0.2010  0.5000  0.4041  1.0
  Sb  Sb4  4  0.0161  0.5000  0.2117  1.0
  Sb  Sb5  4  0.2160  0.0000  0.7862  1.0
]