data_[Pr20Cd8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.2962]
_cell_length_b [7.4521]
_cell_length_c [8.7590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr5(CdHg)2]
_chemical_formula_sum '[Pr20 Cd8 Hg8]'
_cell_volume [1128.9757]
_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  16  0.1399  0.1781  0.3151  1.0
  Pr  Pr1  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  8  0.2163  0.0000  0.0000  1.0
  Hg  Hg3  8  0.0000  0.1093  0.6399  1.0
]