data_[Tl4Cr2Cu4Cl12]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4324]
_cell_length_b [6.8704]
_cell_length_c [7.1373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cr(CuCl3)2]
_chemical_formula_sum '[Tl4 Cr2 Cu4 Cl12]'
_cell_volume [569.3183]
_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  0.2374  0.5000  0.2114  1.0
  Cr  Cr1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0693  0.0000  0.2556  1.0
  Cl  Cl3  8  0.0426  0.2593  0.7714  1.0
  Cl  Cl4  4  0.2463  0.0000  0.3170  1.0
]