data_[Ba2Hg4Pb4]
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 [P-1]
_cell_length_a [6.8820]
_cell_length_b [7.0861]
_cell_length_c [8.1763]
_cell_angle_alpha [75.9227]
_cell_angle_beta [68.7180]
_cell_angle_gamma [66.5504]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba(HgPb)2]
_chemical_formula_sum '[Ba2 Hg4 Pb4]'
_cell_volume [338.5675]
_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  2  0.1693  0.2151  0.7102  1.0
  Hg  Hg1  2  0.2578  0.8337  0.4571  1.0
  Hg  Hg2  2  0.3498  0.8524  0.0457  1.0
  Pb  Pb3  2  0.1331  0.2634  0.2005  1.0
  Pb  Pb4  2  0.4684  0.5920  0.7564  1.0
]