data_[Y2Hg2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.0258]
_cell_length_b [3.7833]
_cell_length_c [5.4020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YHgPb2]
_chemical_formula_sum '[Y2 Hg2 Pb4]'
_cell_volume [224.5868]
_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
[
  Y  Y0  2  0.4880  0.0000  0.5384  1.0
  Hg  Hg1  2  0.2557  0.5000  0.2063  1.0
  Pb  Pb2  2  0.0111  0.0000  0.0531  1.0
  Pb  Pb3  2  0.2452  0.0000  0.7021  1.0
]