data_[Tl2Re1Hg1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Re  1.9000  1.3500  0.7125
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7951]
_cell_length_b [7.1364]
_cell_length_c [9.1345]
_cell_angle_alpha [75.8934]
_cell_angle_beta [75.1509]
_cell_angle_gamma [68.3120]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2ReHgCl8]
_chemical_formula_sum '[Tl2 Re1 Hg1 Cl8]'
_cell_volume [392.3377]
_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  0.3863  0.3681  0.8179  1.0
  Re  Re1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  2  0.1565  0.6455  0.0884  1.0
  Cl  Cl4  2  0.2064  0.6587  0.4979  1.0
  Cl  Cl5  2  0.2203  0.0771  0.1265  1.0
  Cl  Cl6  2  0.2662  0.9793  0.7720  1.0
]