data_[Tl4Hg2Pd2Br12]
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
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9993]
_cell_length_b [7.8581]
_cell_length_c [13.3873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2HgPdBr6]
_chemical_formula_sum '[Tl4 Hg2 Pd2 Br12]'
_cell_volume [686.5758]
_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  0.2715  0.5310  0.7603  1.0
  Hg  Hg1  2  0.5000  0.0000  0.0000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1167  0.5623  0.2126  1.0
  Br  Br4  4  0.2634  0.2272  0.5751  1.0
  Br  Br5  4  0.3269  0.7417  0.5289  1.0
]