data_[Cs4Tl2Cd8]
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/m]
_cell_length_a [7.6773]
_cell_length_b [6.5435]
_cell_length_c [10.4955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs2TlCd4]
_chemical_formula_sum '[Cs4 Tl2 Cd8]'
_cell_volume [519.1435]
_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  2  0.1915  0.2500  0.9312  1
  Cs  Cs1  2  0.3374  0.7500  0.2265  1
  Tl  Tl2  2  0.0502  0.2500  0.2779  1
  Cd  Cd3  4  0.1912  0.0103  0.5608  1
  Cd  Cd4  2  0.3633  0.7500  0.8025  1
  Cd  Cd5  2  0.4516  0.2500  0.4262  1
]