data_[Pr64Hg16Pt16]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [14.2327]
_cell_length_b [14.2327]
_cell_length_c [14.2327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Pr4HgPt]
_chemical_formula_sum '[Pr64 Hg16 Pt16]'
_cell_volume [2883.0898]
_cell_formula_units_Z [16]
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  24  0.0000  0.0000  0.3078  1
  Pr  Pr1  24  0.0630  0.2500  0.7500  1
  Pr  Pr2  16  0.1475  0.1475  0.1475  1
  Hg  Hg3  16  0.0847  0.0847  0.9153  1
  Pt  Pt4  16  0.1437  0.1437  0.3563  1
]