data_[Tl4Sb4Cl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5862]
_cell_length_b [9.9452]
_cell_length_c [8.5323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Sb2Cl7]
_chemical_formula_sum '[Tl4 Sb4 Cl14]'
_cell_volume [727.2545]
_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  0.0000  0.2707  0.0000  1.0
  Sb  Sb1  4  0.1895  0.5000  0.4918  1.0
  Cl  Cl2  8  0.1964  0.3181  0.6872  1.0
  Cl  Cl3  4  0.1936  0.5000  0.1389  1.0
  Cl  Cl4  2  0.0000  0.0000  0.5000  1.0
]