data_[Ba4Hg10Pb8]
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 [12.9026]
_cell_length_b [7.1353]
_cell_length_c [10.1214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.7727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Hg5Pb4]
_chemical_formula_sum '[Ba4 Hg10 Pb8]'
_cell_volume [726.4827]
_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  0.0684  0.0000  0.7752  1.0
  Hg  Hg1  8  0.1662  0.2086  0.1629  1.0
  Hg  Hg2  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb3  4  0.0845  0.5000  0.8640  1.0
  Pb  Pb4  4  0.2225  0.5000  0.4286  1.0
]