data_[Dy4Sc12Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2070]
_cell_length_b [3.3833]
_cell_length_c [11.7158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DySc3Al]
_chemical_formula_sum '[Dy4 Sc12 Al4]'
_cell_volume [482.2081]
_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
[
  Dy  Dy0  4  0.2322  0.0000  0.7519  1
  Sc  Sc1  4  0.0292  0.0000  0.1896  1
  Sc  Sc2  4  0.1342  0.5000  0.9826  1
  Sc  Sc3  4  0.1425  0.0000  0.4524  1
  Al  Al4  4  0.0458  0.5000  0.6224  1
]