data_[Tl6Te2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4065]
_cell_length_b [7.9713]
_cell_length_c [13.7373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl3TeCl6]
_chemical_formula_sum '[Tl6 Te2 Cl12]'
_cell_volume [710.5582]
_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  0.2279  0.5852  0.2316  1.0
  Tl  Tl1  2  0.5000  0.0000  0.5000  1.0
  Te  Te2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0960  0.7148  0.9503  1.0
  Cl  Cl4  4  0.2255  0.1532  0.9333  1.0
  Cl  Cl5  4  0.3815  0.5520  0.7520  1.0
]