data_[Tl10Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8138]
_cell_length_b [13.4141]
_cell_length_c [7.6855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8298]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5Cl6]
_chemical_formula_sum '[Tl10 Cl12]'
_cell_volume [762.4459]
_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  0.1550  0.5000  1.0
  Tl  Tl1  4  0.0000  0.3303  0.0000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  8  0.2371  0.3253  0.7392  1.0
  Cl  Cl4  4  0.2330  0.5000  0.2344  1.0
]