data_[K10Sb8]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5384]
_cell_length_b [5.5320]
_cell_length_c [11.3935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K5Sb4]
_chemical_formula_sum '[K10 Sb8]'
_cell_volume [734.2622]
_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  0.0206  0.0000  0.5128  1.0
  K  K1  2  0.1006  0.0000  0.8935  1.0
  K  K2  2  0.2480  0.0000  0.3345  1.0
  K  K3  2  0.2582  0.5000  0.6668  1.0
  K  K4  2  0.3995  0.5000  0.1096  1.0
  Sb  Sb5  2  0.0431  0.5000  0.3241  1.0
  Sb  Sb6  2  0.1049  0.5000  0.1093  1.0
  Sb  Sb7  2  0.3948  0.0000  0.8915  1.0
  Sb  Sb8  2  0.4554  0.0000  0.6752  1.0
]