data_[Pr8Y14Sc2]
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/m]
_cell_length_a [11.5829]
_cell_length_b [5.3783]
_cell_length_c [13.2772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4Y7Sc]
_chemical_formula_sum '[Pr8 Y14 Sc2]'
_cell_volume [800.9601]
_cell_formula_units_Z [2]
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  0.0381  0.0000  0.7841  1
  Pr  Pr1  4  0.1789  0.5000  0.2618  1
  Y  Y2  4  0.0881  0.5000  0.6291  1
  Y  Y3  4  0.1376  0.0000  0.4653  1
  Y  Y4  4  0.2343  0.5000  0.9007  1
  Y  Y5  2  0.0000  0.5000  0.0000  1
  Sc  Sc6  2  0.0000  0.0000  0.0000  1
]