data_[Nd12Sn8Pd4]
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 [Pnma]
_cell_length_a [12.5519]
_cell_length_b [4.6124]
_cell_length_c [11.9889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nd3Sn2Pd]
_chemical_formula_sum '[Nd12 Sn8 Pd4]'
_cell_volume [694.0869]
_cell_formula_units_Z [4]
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  4  0.0518  0.2500  0.3707  1
  Nd  Nd1  4  0.1241  0.7500  0.9433  1
  Nd  Nd2  4  0.2270  0.2500  0.6980  1
  Sn  Sn3  4  0.0075  0.7500  0.1891  1
  Sn  Sn4  4  0.1880  0.7500  0.4965  1
  Pd  Pd5  4  0.1245  0.2500  0.1265  1
]