data_[Pr3Nd6Sc3]
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 [R3m]
_cell_length_a [3.5962]
_cell_length_b [3.5962]
_cell_length_c [35.1693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PrNd2Sc]
_chemical_formula_sum '[Pr3 Nd6 Sc3]'
_cell_volume [393.9039]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5007  1.0
  Nd  Nd1  3  0.0000  0.0000  0.7446  1.0
  Nd  Nd2  3  0.0000  0.0000  0.9214  1.0
  Sc  Sc3  3  0.0000  0.0000  0.3333  1.0
]