data_[Tl4Cu2Sb2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.6729]
_cell_length_b [9.2588]
_cell_length_c [8.0181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.5331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2CuSbCl6]
_chemical_formula_sum '[Tl4 Cu2 Sb2 Cl12]'
_cell_volume [648.6902]
_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  0.0874  0.2542  0.6192  1.0
  Cu  Cu1  2  0.0483  0.5000  0.1105  1.0
  Sb  Sb2  2  0.4880  0.5000  0.9798  1.0
  Cl  Cl3  4  0.4560  0.2055  0.9097  1.0
  Cl  Cl4  2  0.1800  0.0000  0.3915  1.0
  Cl  Cl5  2  0.2135  0.5000  0.4830  1.0
  Cl  Cl6  2  0.2139  0.0000  0.9741  1.0
  Cl  Cl7  2  0.2684  0.5000  0.9984  1.0
]