data_[Tl8Br2Cl10]
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 [Pmmn]
_cell_length_a [9.7271]
_cell_length_b [10.5847]
_cell_length_c [6.9857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl4BrCl5]
_chemical_formula_sum '[Tl8 Br2 Cl10]'
_cell_volume [719.2419]
_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  0.2584  0.4799  1
  Tl  Tl1  4  0.2313  0.0000  0.9731  1
  Br  Br2  2  0.0000  0.0000  0.4012  1
  Cl  Cl3  8  0.1950  0.2752  0.7550  1
  Cl  Cl4  2  0.0000  0.5000  0.3263  1
]