data_[Pr6Nd8Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.9358]
_cell_length_b [7.3354]
_cell_length_c [6.3591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr3Nd4Sc]
_chemical_formula_sum '[Pr6 Nd8 Sc2]'
_cell_volume [556.7597]
_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  0.2491  0.3790  0.0243  1.0
  Pr  Pr1  2  0.0000  0.3766  0.3487  1.0
  Nd  Nd2  4  0.2436  0.8722  0.0146  1.0
  Nd  Nd3  2  0.0000  0.1257  0.8454  1.0
  Nd  Nd4  2  0.0000  0.8711  0.3580  1.0
  Sc  Sc5  2  0.0000  0.6236  0.8548  1.0
]