data_[Cs4Tl12Cd4]
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 [P2_1/c]
_cell_length_a [9.1576]
_cell_length_b [7.5907]
_cell_length_c [11.2495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsTl3Cd]
_chemical_formula_sum '[Cs4 Tl12 Cd4]'
_cell_volume [777.7540]
_cell_formula_units_Z [4]
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  0.4176  0.1785  0.8499  1.0
  Tl  Tl1  4  0.1439  0.5932  0.5780  1.0
  Tl  Tl2  4  0.1488  0.1362  0.5636  1.0
  Tl  Tl3  4  0.2468  0.6694  0.8735  1.0
  Cd  Cd4  4  0.0056  0.1225  0.2745  1.0
]