data_[Dy3Nb1Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Nb  1.6000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0827]
_cell_length_b [4.0827]
_cell_length_c [16.3355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Dy3NbPd12]
_chemical_formula_sum '[Dy3 Nb1 Pd12]'
_cell_volume [272.2885]
_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
[
  Dy  Dy0  2  0.0000  0.0000  0.2495  1
  Dy  Dy1  1  0.0000  0.0000  0.5000  1
  Nb  Nb2  1  0.0000  0.0000  0.0000  1
  Pd  Pd3  4  0.0000  0.5000  0.1148  1
  Pd  Pd4  4  0.0000  0.5000  0.3721  1
  Pd  Pd5  2  0.5000  0.5000  0.2430  1
  Pd  Pd6  1  0.5000  0.5000  0.0000  1
  Pd  Pd7  1  0.5000  0.5000  0.5000  1
]