data_[Tl3Br3Cl4]
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 [Pm]
_cell_length_a [8.6520]
_cell_length_b [8.8058]
_cell_length_c [18.0645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl3Br3Cl4]
_chemical_formula_sum '[Tl3 Br3 Cl4]'
_cell_volume [1376.2915]
_cell_formula_units_Z [1]
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  0.2161  0.2530  0.5250  1
  Tl  Tl1  1  0.6111  0.0000  0.5281  1
  Br  Br2  2  0.8737  0.3657  0.4393  1
  Br  Br3  1  0.8715  0.0000  0.4535  1
  Cl  Cl4  2  0.5615  0.2279  0.6025  1
  Cl  Cl5  1  0.3350  0.5000  0.4519  1
  Cl  Cl6  1  0.3961  0.0000  0.4329  1
]