data_[Pr12Si4Ge8]
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 [Pnma]
_cell_length_a [12.0814]
_cell_length_b [4.2265]
_cell_length_c [12.1681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pr3SiGe2]
_chemical_formula_sum '[Pr12 Si4 Ge8]'
_cell_volume [621.3324]
_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  0.0624  0.2500  0.6221  1
  Pr  Pr1  4  0.1161  0.7500  0.0557  1
  Pr  Pr2  4  0.2073  0.2500  0.2927  1
  Si  Si3  4  0.1322  0.2500  0.8707  1
  Ge  Ge4  4  0.0240  0.7500  0.8086  1
  Ge  Ge5  4  0.1929  0.7500  0.4891  1
]