data_[Pr8Ag20Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.9618]
_cell_length_b [13.3344]
_cell_length_c [5.9625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2Ag5Hg3]
_chemical_formula_sum '[Pr8 Ag20 Hg12]'
_cell_volume [951.0448]
_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  0.1247  0.2442  0.5000  1
  Ag  Ag1  8  0.1336  0.1442  0.0000  1
  Ag  Ag2  8  0.2460  0.5000  0.2500  1
  Ag  Ag3  4  0.0000  0.5000  0.2500  1
  Hg  Hg4  8  0.1217  0.3526  0.0000  1
  Hg  Hg5  4  0.0000  0.0000  0.2500  1
]