data_[Nd36Dy3In18]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8217]
_cell_length_b [11.8217]
_cell_length_c [14.8029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd12DyIn6]
_chemical_formula_sum '[Nd36 Dy3 In18]'
_cell_volume [1791.5714]
_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  0.0622  0.8441  0.4107  1.0
  Nd  Nd1  18  0.0745  0.1904  0.8073  1.0
  Dy  Dy2  3  0.0000  0.0000  0.0000  1.0
  In  In3  18  0.0310  0.4406  0.7125  1.0
]