data_[Nd2Dy6]
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
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6403]
_cell_length_b [11.4763]
_cell_length_c [6.2962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NdDy3]
_chemical_formula_sum '[Nd2 Dy6]'
_cell_volume [263.0342]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.9982  1.0
  Dy  Dy1  4  0.0000  0.2483  0.3339  1.0
  Dy  Dy2  2  0.0000  0.5000  0.0006  1.0
]