data_[Tl4Ru2Br2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.0752]
_cell_length_b [7.0752]
_cell_length_c [10.1334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Tl2RuBrCl5]
_chemical_formula_sum '[Tl4 Ru2 Br2 Cl10]'
_cell_volume [507.2652]
_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  0.5000  0.2481  1.0
  Ru  Ru1  2  0.0000  0.0000  0.9983  1.0
  Br  Br2  2  0.0000  0.0000  0.2447  1.0
  Cl  Cl3  8  0.2344  0.2344  0.9989  1.0
  Cl  Cl4  2  0.0000  0.0000  0.7653  1.0
]