data_[Tl4Cd1In2Hg2]
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 [5.8405]
_cell_length_b [6.5878]
_cell_length_c [7.0369]
_cell_angle_alpha [79.7345]
_cell_angle_beta [83.6342]
_cell_angle_gamma [81.3289]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl4Cd(InHg)2]
_chemical_formula_sum '[Tl4 Cd1 In2 Hg2]'
_cell_volume [262.3896]
_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  0.1764  0.5801  0.8008  1.0
  Tl  Tl1  2  0.2780  0.6422  0.3190  1.0
  Cd  Cd2  1  0.0000  0.0000  0.0000  1.0
  In  In3  2  0.4014  0.1698  0.1375  1.0
  Hg  Hg4  2  0.2378  0.1153  0.5727  1.0
]