data_[K4Cd8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2770]
_cell_length_b [4.8436]
_cell_length_c [6.8649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCd2]
_chemical_formula_sum '[K4 Cd8]'
_cell_volume [436.0883]
_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  0.1134  0.0000  0.8393  1.0
  Cd  Cd1  4  0.0821  0.5000  0.3692  1.0
  Cd  Cd2  4  0.2051  0.0000  0.3720  1.0
]