data_[Nd36Dy3Y21]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3613]
_cell_length_b [12.3613]
_cell_length_c [15.7330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd12DyY7]
_chemical_formula_sum '[Nd36 Dy3 Y21]'
_cell_volume [2081.9537]
_cell_formula_units_Z [3]
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  18  0.0195  0.4458  0.7192  1
  Nd  Nd1  18  0.0586  0.5914  0.0812  1
  Y  Y2  18  0.0519  0.1866  0.7995  1
  Y  Y3  3  -0.0000  0.0000  0.5000  1
  Dy  Dy4  3  0.0000  0.0000  0.0000  1
]