data_[Tl7Hg3Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.3711]
_cell_length_b [7.3711]
_cell_length_c [7.4110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tl7Hg3Pb]
_chemical_formula_sum '[Tl7 Hg3 Pb1]'
_cell_volume [348.7184]
_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  0.3554  0.1777  0.0901  1.0
  Tl  Tl1  3  0.5118  0.0236  0.4792  1.0
  Tl  Tl2  1  0.3333  0.6667  0.1173  1.0
  Hg  Hg3  3  0.1648  0.3297  0.7828  1.0
  Pb  Pb4  1  0.0000  0.0000  0.4416  1.0
]