data_[Nd36Cd18In3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.2358]
_cell_length_b [15.2358]
_cell_length_c [8.4276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd12Cd6In]
_chemical_formula_sum '[Nd36 Cd18 In3]'
_cell_volume [1694.2116]
_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  0.0077  0.1382  0.6699  1.0
  Nd  Nd1  18  0.0667  0.5668  0.6727  1.0
  Cd  Cd2  18  0.0284  0.2758  0.3276  1.0
  In  In3  3  0.0000  0.0000  0.0000  1.0
]