data_[Tl4Cd4Hg3]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4898]
_cell_length_b [5.1313]
_cell_length_c [16.7691]
_cell_angle_alpha [93.7618]
_cell_angle_beta [90.9624]
_cell_angle_gamma [91.1525]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl4Cd4Hg3]
_chemical_formula_sum '[Tl4 Cd4 Hg3]'
_cell_volume [299.5327]
_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  0.2550  0.2792  0.5605  1
  Tl  Tl1  2  0.2850  0.8941  0.8159  1
  Cd  Cd2  2  0.2355  0.1856  0.3641  1
  Cd  Cd3  2  0.2929  0.5418  0.0800  1
  Hg  Hg4  2  0.2118  0.6399  0.2601  1
  Hg  Hg5  1  0.0000  0.0000  0.0000  1
]