data_[Dy2Sc4Pd16]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6014]
_cell_length_b [4.1019]
_cell_length_c [6.6048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy(ScPd4)2]
_chemical_formula_sum '[Dy2 Sc4 Pd16]'
_cell_volume [376.5135]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1.0
  Sc  Sc1  4  0.2202  0.0000  0.6661  1.0
  Pd  Pd2  4  0.0420  0.0000  0.7170  1.0
  Pd  Pd3  4  0.0968  0.5000  0.4600  1.0
  Pd  Pd4  4  0.1456  0.0000  0.1965  1.0
  Pd  Pd5  4  0.1807  0.5000  0.9126  1.0
]