data_[K12Cd4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0315]
_cell_length_b [10.3980]
_cell_length_c [8.9883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3CdSn]
_chemical_formula_sum '[K12 Cd4 Sn4]'
_cell_volume [915.9309]
_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  0.2190  0.2026  0.2338  1
  K  K1  4  0.0273  0.5000  0.2557  1
  Cd  Cd2  4  0.1718  0.0000  0.8607  1
  Sn  Sn3  4  0.1078  0.0000  0.4647  1
]