data_[Nd12In12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4867]
_cell_length_b [16.7348]
_cell_length_c [5.7593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nd3In3Pd2]
_chemical_formula_sum '[Nd12 In12 Pd8]'
_cell_volume [817.9543]
_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  8  0.0348  0.6108  0.6157  1
  Nd  Nd1  4  0.1666  0.7500  0.1426  1
  In  In2  8  0.1839  0.5336  0.1053  1
  In  In3  4  0.1760  0.2500  0.1450  1
  Pd  Pd4  8  0.1016  0.1154  0.8796  1
]