data_[Ba6Zn18Cd3Cu3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.6675]
_cell_length_b [6.6675]
_cell_length_c [18.2661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Zn6CdCu]
_chemical_formula_sum '[Ba6 Zn18 Cd3 Cu3]'
_cell_volume [703.2273]
_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
[
  Ba  Ba0  6  0.0000  0.0000  0.2975  1
  Zn  Zn1  18  0.0651  0.5325  0.7922  1
  Cd  Cd2  3  0.0000  0.0000  0.0000  1
  Cu  Cu3  3  -0.0000  -0.0000  0.5000  1
]