data_[Nd4Dy4Sc12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.7986]
_cell_length_b [3.4725]
_cell_length_c [8.0756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdDySc3]
_chemical_formula_sum '[Nd4 Dy4 Sc12]'
_cell_volume [559.5763]
_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
[
  Nd  Nd0  4  0.1823  0.0000  0.8778  1.0
  Dy  Dy1  4  0.1094  0.5000  0.5056  1.0
  Sc  Sc2  4  0.0169  0.0000  0.7362  1.0
  Sc  Sc3  4  0.0810  0.5000  0.0880  1.0
  Sc  Sc4  4  0.2152  0.0000  0.3237  1.0
]