data_[Nd26Cd116]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [15.9775]
_cell_length_b [15.9775]
_cell_length_c [15.6619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Nd13Cd58]
_chemical_formula_sum '[Nd26 Cd116]'
_cell_volume [3462.5377]
_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  12  0.2055  0.4109  0.0524  1
  Nd  Nd1  6  0.0863  0.5432  0.7500  1
  Nd  Nd2  6  0.1283  0.2565  0.7500  1
  Nd  Nd3  2  0.0000  0.0000  0.0000  1
  Cd  Cd4  24  0.0361  0.3650  0.6025  1
  Cd  Cd5  12  0.0000  0.1990  0.0000  1
  Cd  Cd6  12  0.0818  0.3583  0.2500  1
  Cd  Cd7  12  0.0925  0.1851  0.1557  1
  Cd  Cd8  12  0.1225  0.5613  0.1454  1
  Cd  Cd9  12  0.2006  0.6003  0.5519  1
  Cd  Cd10  12  0.2349  0.4697  0.6584  1
  Cd  Cd11  6  0.0000  0.5000  0.0000  1
  Cd  Cd12  6  0.2673  0.7327  0.2500  1
  Cd  Cd13  4  0.3333  0.6667  0.0954  1
  Cd  Cd14  2  0.0000  0.0000  0.2500  1
  Cd  Cd15  2  0.3333  0.6667  0.7500  1
]