data_[Tl1In4Hg2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4981]
_cell_length_b [3.4981]
_cell_length_c [24.6740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TlIn4(HgPb)2]
_chemical_formula_sum '[Tl1 In4 Hg2 Pb2]'
_cell_volume [261.4849]
_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  1  0.0000  0.0000  0.6770  1.0
  In  In1  1  0.0000  0.0000  0.2356  1.0
  In  In2  1  0.0000  0.0000  0.4440  1.0
  In  In3  1  0.6667  0.3333  0.1249  1.0
  In  In4  1  0.6667  0.3333  0.9231  1.0
  Hg  Hg5  1  0.0000  0.0000  0.0235  1.0
  Hg  Hg6  1  0.6667  0.3333  0.3405  1.0
  Pb  Pb7  1  0.6667  0.3333  0.5577  1.0
  Pb  Pb8  1  0.6667  0.3333  0.7967  1.0
]