data_[Ba6Tl3Cd27]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.4168]
_cell_length_b [6.4168]
_cell_length_c [29.1500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2TlCd9]
_chemical_formula_sum '[Ba6 Tl3 Cd27]'
_cell_volume [1039.4482]
_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  0.1380  1
  Tl  Tl1  3  0.0000  0.0000  0.0000  1
  Cd  Cd2  18  0.0063  0.5031  0.9181  1
  Cd  Cd3  6  0.0000  0.0000  0.3347  1
  Cd  Cd4  3  -0.0000  -0.0000  0.5000  1
]