data_[Tl1Cu2Sb1Cl8]
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 [P-1]
_cell_length_a [6.1866]
_cell_length_b [8.0389]
_cell_length_c [8.5253]
_cell_angle_alpha [106.0841]
_cell_angle_beta [105.6901]
_cell_angle_gamma [101.2053]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCu2SbCl8]
_chemical_formula_sum '[Tl1 Cu2 Sb1 Cl8]'
_cell_volume [375.2334]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  Cu  Cu1  2  0.1704  0.6418  0.7021  1.0
  Sb  Sb2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0469  0.0035  0.7121  1.0
  Cl  Cl4  2  0.1305  0.7007  0.9639  1.0
  Cl  Cl5  2  0.2073  0.5786  0.4419  1.0
  Cl  Cl6  2  0.4279  0.1864  0.1685  1.0
]