data_[Hg4Te8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.8929]
_cell_length_b [6.4434]
_cell_length_c [11.6160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Hg(TePb)2]
_chemical_formula_sum '[Hg4 Te8 Pb8]'
_cell_volume [740.4447]
_cell_formula_units_Z [4]
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
[
  Hg  Hg0  4  0.2359  0.2500  0.8564  1
  Te  Te1  4  0.0512  0.7500  0.6476  1
  Te  Te2  4  0.1249  0.7500  0.0707  1
  Pb  Pb3  4  0.0680  0.2500  0.6019  1
  Pb  Pb4  4  0.1072  0.2500  0.1190  1
]