data_[Pr8Al12Ge16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.1152]
_cell_length_b [15.1422]
_cell_length_c [8.0259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr2Al3Ge4]
_chemical_formula_sum '[Pr8 Al12 Ge16]'
_cell_volume [743.1814]
_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  0.0000  0.1134  0.4177  1.0
  Al  Al1  8  0.2500  0.2177  0.7500  1.0
  Al  Al2  4  0.0000  0.0000  0.0000  1.0
  Ge  Ge3  8  0.0000  0.1853  0.0502  1.0
  Ge  Ge4  8  0.2500  0.0493  0.7500  1.0
]