data_[Cs8Mg6Tl2Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [10.5270]
_cell_length_b [10.5270]
_cell_length_c [10.5270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Cs4Mg3TlCl12]
_chemical_formula_sum '[Cs8 Mg6 Tl2 Cl24]'
_cell_volume [1166.5741]
_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  8  0.2500  0.2500  0.2500  1.0
  Mg  Mg1  6  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  12  0.0000  0.0000  0.2664  1.0
  Cl  Cl4  12  0.0000  0.2500  0.5000  1.0
]