data_[Pr8Sc4Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1417]
_cell_length_b [4.3418]
_cell_length_c [10.6741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2ScSi2]
_chemical_formula_sum '[Pr8 Sc4 Si8]'
_cell_volume [496.3876]
_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  0.0142  0.5000  0.6866  1.0
  Pr  Pr1  4  0.1837  0.5000  0.0987  1.0
  Sc  Sc2  4  0.2275  0.0000  0.3755  1.0
  Si  Si3  4  0.0042  0.0000  0.8896  1.0
  Si  Si4  4  0.1177  0.0000  0.5566  1.0
]