data_[Tl3Hg2Bi2Pb4]
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
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5810]
_cell_length_b [5.5810]
_cell_length_c [13.0918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tl3Hg2(BiPb2)2]
_chemical_formula_sum '[Tl3 Hg2 Bi2 Pb4]'
_cell_volume [353.1446]
_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  0.0000  0.0000  0.2914  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.3333  0.6667  0.3334  1.0
  Bi  Bi3  2  0.3333  0.6667  0.8347  1.0
  Pb  Pb4  2  0.3333  0.6667  0.0963  1.0
  Pb  Pb5  2  0.3333  0.6667  0.5671  1.0
]