data_[Tl6Sb2Cl2]
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 [P2_1/m]
_cell_length_a [8.4340]
_cell_length_b [4.9844]
_cell_length_c [9.1737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1349]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl3SbCl]
_chemical_formula_sum '[Tl6 Sb2 Cl2]'
_cell_volume [382.6607]
_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  2  0.0009  0.2500  0.7173  1
  Tl  Tl1  2  0.3221  0.2500  0.9714  1
  Tl  Tl2  2  0.4806  0.2500  0.3802  1
  Sb  Sb3  2  0.3638  0.7500  0.1778  1
  Cl  Cl4  2  0.1588  0.7500  0.6026  1
]