data_[Nd2Sn6Pd2]
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 [P2/m]
_cell_length_a [4.6156]
_cell_length_b [4.5374]
_cell_length_c [12.5900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NdSn3Pd]
_chemical_formula_sum '[Nd2 Sn6 Pd2]'
_cell_volume [259.4431]
_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  2  0.1698  0.5000  0.3371  1.0
  Sn  Sn1  2  0.0579  0.0000  0.1167  1.0
  Sn  Sn2  2  0.2818  0.0000  0.5650  1.0
  Sn  Sn3  2  0.4267  0.5000  0.8842  1.0
  Pd  Pd4  2  0.3924  0.0000  0.7727  1.0
]