data_[Tl36Cd3Sb21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.9754]
_cell_length_b [14.9754]
_cell_length_c [9.8957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tl12CdSb7]
_chemical_formula_sum '[Tl36 Cd3 Sb21]'
_cell_volume [1921.9239]
_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
[
  Tl  Tl0  18  0.0452  0.2697  0.5832  1.0
  Tl  Tl1  18  0.0471  0.1821  0.2633  1.0
  Cd  Cd2  3  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  18  0.0755  0.2355  0.9131  1.0
  Sb  Sb4  3  0.0000  0.0000  0.5000  1.0
]