data_[Tl1Cd2In2Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1899]
_cell_length_b [6.5392]
_cell_length_c [8.4294]
_cell_angle_alpha [76.2622]
_cell_angle_beta [76.7456]
_cell_angle_gamma [68.7638]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCd2(InHg3)2]
_chemical_formula_sum '[Tl1 Cd2 In2 Hg6]'
_cell_volume [305.0407]
_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  1  0.0000  0.5000  0.5000  1.0
  Cd  Cd1  2  0.4077  0.7526  0.4322  1.0
  In  In2  2  0.2311  0.7219  0.0900  1.0
  Hg  Hg3  2  0.0229  0.8726  0.7260  1.0
  Hg  Hg4  2  0.2505  0.3027  0.8916  1.0
  Hg  Hg5  2  0.4568  0.1982  0.2507  1.0
]