data_[Nd2Sn4Pd16]
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 [C2/m]
_cell_length_a [7.5848]
_cell_length_b [12.4186]
_cell_length_c [4.9190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd(SnPd4)2]
_chemical_formula_sum '[Nd2 Sn4 Pd16]'
_cell_volume [406.1677]
_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  0.0000  0.0000  0.5000  1
  Sn  Sn1  4  0.0000  0.3111  0.0000  1
  Pd  Pd2  8  0.2068  0.1183  0.1346  1
  Pd  Pd3  4  0.0000  0.2273  0.5000  1
  Pd  Pd4  4  0.0781  0.5000  0.3115  1
]