data_[La20Nd4Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.1449]
_cell_length_b [6.7490]
_cell_length_c [10.9506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5NdSc]
_chemical_formula_sum '[La20 Nd4 Sc4]'
_cell_volume [975.6424]
_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
[
  La  La0  8  0.0917  0.2548  0.5892  1
  La  La1  8  0.1780  0.2506  0.0946  1
  La  La2  4  0.0000  0.0174  0.2500  1
  Nd  Nd3  4  0.0000  0.4846  0.2500  1
  Sc  Sc4  4  0.2500  0.2500  0.5000  1
]