data_[Pr2Nd6Sc8]
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 [10.8762]
_cell_length_b [7.5646]
_cell_length_c [5.8618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [PrNd3Sc4]
_chemical_formula_sum '[Pr2 Nd6 Sc8]'
_cell_volume [482.2707]
_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  2  0.0000  0.3535  0.1232  1.0
  Nd  Nd1  4  0.2497  0.6474  0.0064  1.0
  Nd  Nd2  2  0.0000  0.6471  0.6219  1.0
  Sc  Sc3  4  0.2496  0.9028  0.4866  1.0
  Sc  Sc4  2  0.0000  0.0974  0.6423  1.0
  Sc  Sc5  2  0.0000  0.9029  0.1420  1.0
]