data_[Nd1Sn6Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.8157]
_cell_length_b [5.8157]
_cell_length_c [8.9435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Nd(SnPd)6]
_chemical_formula_sum '[Nd1 Sn6 Pd6]'
_cell_volume [261.9601]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn1  2  0.0000  0.0000  0.3414  1.0
  Sn  Sn2  2  0.3333  0.6667  0.0000  1.0
  Sn  Sn3  2  0.3333  0.6667  0.5000  1.0
  Pd  Pd4  6  0.0000  0.5000  0.2474  1.0
]