data_[Pr8Si4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2172]
_cell_length_b [4.2797]
_cell_length_c [10.9959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2SiGe2]
_chemical_formula_sum '[Pr8 Si4 Ge8]'
_cell_volume [476.2795]
_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  4  0.0995  0.0000  0.9024  1.0
  Pr  Pr1  4  0.2033  0.5000  0.6430  1.0
  Si  Si2  4  0.0577  0.5000  0.3001  1.0
  Ge  Ge3  4  0.0444  0.0000  0.4106  1.0
  Ge  Ge4  4  0.1311  0.5000  0.1195  1.0
]