data_[K6Ca6Cd45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.5967]
_cell_length_b [10.5967]
_cell_length_c [15.8572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2Ca2Cd15]
_chemical_formula_sum '[K6 Ca6 Cd45]'
_cell_volume [1542.0513]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3495  1.0
  Ca  Ca1  6  0.0000  0.0000  0.1061  1.0
  Cd  Cd2  18  0.0000  0.2912  0.0000  1.0
  Cd  Cd3  18  0.0054  0.5027  0.1434  1.0
  Cd  Cd4  9  0.0000  0.5000  0.5000  1.0
]