data_[Pr8Sc4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2100]
_cell_length_b [4.4070]
_cell_length_c [10.7806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2ScGe2]
_chemical_formula_sum '[Pr8 Sc4 Ge8]'
_cell_volume [513.4429]
_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  0.0135  0.5000  0.6844  1.0
  Pr  Pr1  4  0.1826  0.5000  0.0961  1.0
  Sc  Sc2  4  0.2250  0.0000  0.3719  1.0
  Ge  Ge3  4  0.0087  0.0000  0.8849  1.0
  Ge  Ge4  4  0.1265  0.0000  0.5627  1.0
]