data_[Pr8Nd4Sc16]
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 [C2]
_cell_length_a [15.8398]
_cell_length_b [5.6875]
_cell_length_c [11.8770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.6509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Pr2NdSc4]
_chemical_formula_sum '[Pr8 Nd4 Sc16]'
_cell_volume [823.8333]
_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  4  0.2179  0.9549  0.8734  1.0
  Pr  Pr1  2  0.0000  0.4816  0.0000  1.0
  Pr  Pr2  2  0.0000  0.8423  0.5000  1.0
  Nd  Nd3  4  0.2166  0.3645  0.3743  1.0
  Sc  Sc4  4  0.0568  0.4183  0.7593  1.0
  Sc  Sc5  4  0.0592  0.8976  0.2613  1.0
  Sc  Sc6  4  0.1443  0.9782  0.0846  1.0
  Sc  Sc7  4  0.1475  0.3458  0.5880  1.0
]