data_[K4Cd4Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7755]
_cell_length_b [4.3085]
_cell_length_c [6.4745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCdCu]
_chemical_formula_sum '[K4 Cd4 Cu4]'
_cell_volume [351.1752]
_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  0.1198  0.5000  0.2833  1
  Cd  Cd1  4  0.0974  0.0000  0.7139  1
  Cu  Cu2  4  0.2206  0.5000  0.9047  1
]