data_[Ba6Hg4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [12.7316]
_cell_length_b [5.2978]
_cell_length_c [9.9518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(HgPb2)2]
_chemical_formula_sum '[Ba6 Hg4 Pb8]'
_cell_volume [654.7516]
_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
[
  Ba  Ba0  4  0.1314  0.5000  0.6897  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1971  0.5000  0.3682  1.0
  Pb  Pb3  4  0.0736  0.0000  0.3912  1.0
  Pb  Pb4  4  0.2005  0.5000  0.0594  1.0
]