data_[Nd14Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.1753]
_cell_length_b [10.1753]
_cell_length_c [6.5013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Nd7Pd3]
_chemical_formula_sum '[Nd14 Pd6]'
_cell_volume [582.9477]
_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  6  0.0771  0.5385  0.4462  1.0
  Nd  Nd1  6  0.1268  0.2536  0.7451  1.0
  Nd  Nd2  2  0.3333  0.6667  0.9507  1.0
  Pd  Pd3  6  0.1890  0.3779  0.1907  1.0
]