data_[Nd2Dy4Sc3]
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 [P3m1]
_cell_length_a [3.5097]
_cell_length_b [3.5097]
_cell_length_c [25.6390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Nd2Dy4Sc3]
_chemical_formula_sum '[Nd2 Dy4 Sc3]'
_cell_volume [273.5140]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1274  1.0
  Nd  Nd1  1  0.0000  0.0000  0.9131  1.0
  Dy  Dy2  1  0.0000  0.0000  0.5679  1.0
  Dy  Dy3  1  0.0000  0.0000  0.7741  1.0
  Dy  Dy4  1  0.3333  0.6667  0.2462  1.0
  Dy  Dy5  1  0.3333  0.6667  0.4538  1.0
  Sc  Sc6  1  0.0000  0.0000  0.3498  1.0
  Sc  Sc7  1  0.3333  0.6667  0.0185  1.0
  Sc  Sc8  1  0.3333  0.6667  0.6721  1.0
]