data_[Hg4Ir4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1761]
_cell_length_b [4.1709]
_cell_length_c [7.6171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HgIrPb]
_chemical_formula_sum '[Hg4 Ir4 Pb4]'
_cell_volume [271.2661]
_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  2  0.3014  0.5000  0.6341  1
  Hg  Hg1  2  0.3717  0.0000  0.3557  1
  Ir  Ir2  2  0.0959  0.0000  0.3719  1
  Ir  Ir3  2  0.3159  0.5000  0.0383  1
  Pb  Pb4  2  0.0578  0.5000  0.0938  1
  Pb  Pb5  2  0.1375  0.0000  0.7706  1
]