data_[K32Sn32]
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
]
_symmetry_space_group_name_H-M [I4_1/acd]
_cell_length_a [11.4986]
_cell_length_b [11.4986]
_cell_length_c [18.8846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [142]
_chemical_formula_structural [KSn]
_chemical_formula_sum '[K32 Sn32]'
_cell_volume [2496.8721]
_cell_formula_units_Z [32]
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  16  0.1222  0.3778  0.0000  1
  K  K1  16  0.1365  0.2500  0.3750  1
  Sn  Sn2  32  0.0654  0.1131  0.5564  1
]