data_[Pr8Y4Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.3752]
_cell_length_b [6.1993]
_cell_length_c [6.6221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2YSc2]
_chemical_formula_sum '[Pr8 Y4 Sc8]'
_cell_volume [613.2447]
_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  0.2029  0.4077  0.1672  1
  Y  Y1  4  0.0000  0.4103  0.7500  1
  Sc  Sc2  8  0.0923  0.0761  0.4461  1
]