data_[Pr20Ge8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2689]
_cell_length_b [6.6488]
_cell_length_c [8.0875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr5Ge2]
_chemical_formula_sum '[Pr20 Ge8]'
_cell_volume [867.1261]
_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  8  0.0931  0.1183  0.9269  1.0
  Pr  Pr1  8  0.2220  0.3942  0.3049  1.0
  Pr  Pr2  4  0.0000  0.3915  0.2500  1.0
  Ge  Ge3  8  0.1058  0.3094  0.5834  1.0
]