data_[Tl4Cr2Cl6]
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 [Cm]
_cell_length_a [8.0448]
_cell_length_b [9.7889]
_cell_length_c [17.6019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2CrCl3]
_chemical_formula_sum '[Tl4 Cr2 Cl6]'
_cell_volume [1386.1493]
_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
[
  Tl  Tl0  4  0.3177  0.1944  0.5419  1
  Cr  Cr1  2  0.2334  0.5000  0.4863  1
  Cl  Cl2  4  0.0908  0.3116  0.4274  1
  Cl  Cl3  2  0.4530  0.5000  0.5752  1
]