data_[Tl12Cr4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [9.0190]
_cell_length_b [10.9683]
_cell_length_c [12.8626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tl3CrCl6]
_chemical_formula_sum '[Tl12 Cr4 Cl24]'
_cell_volume [1272.4093]
_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
[
  Tl  Tl0  8  0.2500  0.2500  0.2500  1.0
  Tl  Tl1  4  0.0000  0.0000  0.5000  1.0
  Cr  Cr2  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  16  0.1859  0.0000  0.8707  1.0
  Cl  Cl4  8  0.0000  0.2175  0.0000  1.0
]