data_[Pr2Ge12Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.7213]
_cell_length_b [6.7213]
_cell_length_c [9.0382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Pr(Ge3Ir2)2]
_chemical_formula_sum '[Pr2 Ge12 Ir8]'
_cell_volume [408.3098]
_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  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge1  8  0.1693  0.8307  0.8055  1.0
  Ge  Ge2  4  0.0000  0.5000  0.0000  1.0
  Ir  Ir3  8  0.1824  0.1824  0.9120  1.0
]