data_[Tl7Cd1Hg3]
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 [P3m1]
_cell_length_a [7.3842]
_cell_length_b [7.3842]
_cell_length_c [7.3084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tl7CdHg3]
_chemical_formula_sum '[Tl7 Cd1 Hg3]'
_cell_volume [345.1133]
_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  3  0.3414  0.1707  0.8955  1.0
  Tl  Tl1  3  0.5048  0.0096  0.5262  1.0
  Tl  Tl2  1  0.3333  0.6667  0.8875  1.0
  Cd  Cd3  1  0.0000  0.0000  0.5628  1.0
  Hg  Hg4  3  0.1574  0.3148  0.2232  1.0
]