data_[Tl4Hg4Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4621]
_cell_length_b [5.7565]
_cell_length_c [8.3200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Hg2Br5]
_chemical_formula_sum '[Tl4 Hg4 Br10]'
_cell_volume [661.9272]
_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  0.1137  0.5000  0.2896  1.0
  Hg  Hg1  4  0.1295  0.0000  0.8467  1.0
  Br  Br2  4  0.1415  0.5000  0.8915  1.0
  Br  Br3  4  0.1495  0.0000  0.5331  1.0
  Br  Br4  2  0.0000  0.0000  0.0000  1.0
]