data_[Ba6Hg10Sb4Pb4]
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
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9962]
_cell_length_b [4.9962]
_cell_length_c [35.6880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba3Hg5(SbPb)2]
_chemical_formula_sum '[Ba6 Hg10 Sb4 Pb4]'
_cell_volume [890.8467]
_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  0.1957  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  8  0.0000  0.5000  0.0710  1
  Hg  Hg3  2  0.0000  0.0000  0.5000  1
  Sb  Sb4  4  0.0000  0.0000  0.2923  1
  Pb  Pb5  4  0.0000  0.0000  0.3722  1
]