data_[Pr24Hg8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.7872]
_cell_length_b [10.3001]
_cell_length_c [11.8703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr6Hg2Pb]
_chemical_formula_sum '[Pr24 Hg8 Pb4]'
_cell_volume [1196.6290]
_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
[
  Pr  Pr0  8  0.0000  0.1952  0.2313  1.0
  Pr  Pr1  8  0.2075  0.3087  0.5000  1.0
  Pr  Pr2  8  0.2111  0.5000  0.1781  1.0
  Hg  Hg3  4  0.0000  0.3493  0.0000  1.0
  Hg  Hg4  4  0.0000  0.5000  0.3718  1.0
  Pb  Pb5  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb6  2  0.0000  0.0000  0.5000  1.0
]