data_[Tl6Hg14Pb2]
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 [C2/m]
_cell_length_a [10.4119]
_cell_length_b [11.8815]
_cell_length_c [6.0855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Hg7Pb]
_chemical_formula_sum '[Tl6 Hg14 Pb2]'
_cell_volume [693.6817]
_cell_formula_units_Z [2]
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  4  0.0000  0.2291  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  8  0.1679  0.2481  0.6564  1.0
  Hg  Hg3  4  0.1952  0.0000  0.0758  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  2  0.0000  0.5000  0.5000  1.0
]