data_[Ba6Zn3Cd18Pt3]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3240]
_cell_length_b [7.3240]
_cell_length_c [18.8172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2ZnCd6Pt]
_chemical_formula_sum '[Ba6 Zn3 Cd18 Pt3]'
_cell_volume [874.1419]
_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  0.2898  1.0
  Zn  Zn1  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  18  0.0564  0.5282  0.7769  1.0
  Pt  Pt3  3  -0.0000  -0.0000  0.5000  1.0
]