data_[Pr12Hg4Pb8]
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 [C2/c]
_cell_length_a [17.1362]
_cell_length_b [6.6471]
_cell_length_c [6.6527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr3HgPb2]
_chemical_formula_sum '[Pr12 Hg4 Pb8]'
_cell_volume [738.6568]
_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  0.1700  0.1096  0.6022  1.0
  Pr  Pr1  4  0.0000  0.3505  0.2500  1.0
  Hg  Hg2  4  0.0000  0.1336  0.7500  1.0
  Pb  Pb3  8  0.1591  0.3951  0.0526  1.0
]