data_[Ba6Hg10Bi4Pb4]
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
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0278]
_cell_length_b [5.0278]
_cell_length_c [32.9380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba3Hg5(BiPb)2]
_chemical_formula_sum '[Ba6 Hg10 Bi4 Pb4]'
_cell_volume [832.6375]
_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  0.0000  0.0000  0.1662  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  8  0.0000  0.5000  0.0756  1
  Hg  Hg3  2  0.0000  0.0000  0.5000  1
  Bi  Bi4  4  0.0000  0.0000  0.2695  1
  Pb  Pb5  4  0.0000  0.0000  0.3620  1
]