data_[Ba12Tl36Cd6Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  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 [7.5892]
_cell_length_b [7.5892]
_cell_length_c [39.0628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Tl6CdPt]
_chemical_formula_sum '[Ba12 Tl36 Cd6 Pt6]'
_cell_volume [1948.4534]
_cell_formula_units_Z [6]
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  0.1058  1
  Ba  Ba1  6  0.0000  0.0000  0.2811  1
  Tl  Tl2  18  0.0443  0.5221  0.3012  1
  Tl  Tl3  18  0.0537  0.5269  0.8647  1
  Cd  Cd4  6  0.0000  0.0000  0.4265  1
  Pt  Pt5  3  -0.0000  -0.0000  0.5000  1
  Pt  Pt6  3  0.0000  0.0000  0.0000  1
]