data_[Cs6Tl2Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.9800]
_cell_length_b [8.5907]
_cell_length_c [11.5817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cs3TlCd4]
_chemical_formula_sum '[Cs6 Tl2 Cd8]'
_cell_volume [694.4705]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  4  0.0000  0.2469  0.5739  1.0
  Cs  Cs1  2  0.0000  0.0000  0.9255  1.0
  Tl  Tl2  2  0.0000  0.5000  0.9983  1.0
  Cd  Cd3  4  0.0000  0.3124  0.2360  1.0
  Cd  Cd4  4  0.2115  0.0000  0.3037  1.0
]