data_[Pr16Hg2Ge10]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.2845]
_cell_length_b [9.2845]
_cell_length_c [9.3063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Pr8HgGe5]
_chemical_formula_sum '[Pr16 Hg2 Ge10]'
_cell_volume [802.2323]
_cell_formula_units_Z [2]
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  0.0668  0.8267  0.8087  1
  Pr  Pr1  8  0.0710  0.6880  0.4349  1
  Hg  Hg2  2  0.0000  0.5000  0.7500  1
  Ge  Ge3  8  0.1274  0.7483  0.1217  1
  Ge  Ge4  2  0.0000  0.0000  0.5000  1
]