data_[Pr16Hg24Ge8]
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 [Fmmm]
_cell_length_a [7.5807]
_cell_length_b [9.6970]
_cell_length_c [16.8177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Pr2Hg3Ge]
_chemical_formula_sum '[Pr16 Hg24 Ge8]'
_cell_volume [1236.2698]
_cell_formula_units_Z [8]
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  0.2433  0.0000  0.0000  1
  Pr  Pr1  8  0.2500  0.2500  0.2500  1
  Hg  Hg2  16  0.0000  0.2436  0.4155  1
  Hg  Hg3  8  0.0000  0.0000  0.1695  1
  Ge  Ge4  8  0.0000  0.0000  0.3336  1
]