data_[Hg8Bi8Pb20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Ima2]
_cell_length_a [13.4322]
_cell_length_b [8.6351]
_cell_length_c [10.1128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Hg2Bi2Pb5]
_chemical_formula_sum '[Hg8 Bi8 Pb20]'
_cell_volume [1172.9789]
_cell_formula_units_Z [4]
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
[
  Hg  Hg0  4  0.0000  0.0000  0.9503  1.0
  Hg  Hg1  4  0.2500  0.6113  0.3527  1.0
  Bi  Bi2  8  0.1135  0.9374  0.5118  1.0
  Pb  Pb3  8  0.0861  0.2134  0.7325  1.0
  Pb  Pb4  8  0.1285  0.6045  0.6917  1.0
  Pb  Pb5  4  0.2500  0.2342  0.9891  1.0
]