data_[Cs4Tl4Cr2Cl12]
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
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4925]
_cell_length_b [13.6902]
_cell_length_c [7.7526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tl2CrCl6]
_chemical_formula_sum '[Cs4 Tl4 Cr2 Cl12]'
_cell_volume [864.7666]
_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  0.3438  0.5000  1.0
  Tl  Tl1  4  0.0000  0.1509  0.0000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  8  0.1694  0.1237  0.6817  1.0
  Cl  Cl4  4  0.2100  0.0000  0.2229  1.0
]