data_[Ba4Hg12Sb2Pb2]
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 [Pmmn]
_cell_length_a [5.8851]
_cell_length_b [10.2733]
_cell_length_c [11.2619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ba2Hg6SbPb]
_chemical_formula_sum '[Ba4 Hg12 Sb2 Pb2]'
_cell_volume [680.8791]
_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  0.2327  0.7322  1
  Hg  Hg1  4  0.0000  0.2397  0.0799  1
  Hg  Hg2  4  0.2497  0.0000  0.9617  1
  Hg  Hg3  4  0.2498  0.0000  0.4789  1
  Sb  Sb4  2  0.0000  0.5000  0.2979  1
  Pb  Pb5  2  0.0000  0.0000  0.2492  1
]