data_[Tl10Br2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3635]
_cell_length_b [4.6296]
_cell_length_c [11.3556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5BrCl4]
_chemical_formula_sum '[Tl10 Br2 Cl8]'
_cell_volume [702.6963]
_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  0.1043  0.5000  0.8955  1
  Tl  Tl1  4  0.2024  0.0000  0.3062  1
  Tl  Tl2  2  0.0000  0.0000  0.5000  1
  Br  Br3  2  0.0000  0.0000  0.0000  1
  Cl  Cl4  4  0.0965  0.5000  0.3970  1
  Cl  Cl5  4  0.2022  0.0000  0.7962  1
]