data_[Pr8Y12Sc4]
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 [8.9438]
_cell_length_b [9.8305]
_cell_length_c [8.9587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2Y3Sc]
_chemical_formula_sum '[Pr8 Y12 Sc4]'
_cell_volume [772.5057]
_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  0.1255  0.2502  0.1250  1
  Y  Y1  8  0.2422  0.0800  0.4999  1
  Y  Y2  4  0.0000  0.4096  0.7500  1
  Sc  Sc3  4  0.0000  0.0830  0.7500  1
]