data_[Nd6Sm6Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9695]
_cell_length_b [11.3490]
_cell_length_c [11.4571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd3Sm3Pd4]
_chemical_formula_sum '[Nd6 Sm6 Pd8]'
_cell_volume [516.1463]
_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  4  0.0000  0.2498  0.2507  1
  Nd  Nd1  2  0.5000  0.0000  0.1659  1
  Sm  Sm2  4  0.5000  0.1667  0.5010  1
  Sm  Sm3  2  0.5000  0.0000  0.8326  1
  Pd  Pd4  4  0.0000  0.1274  0.9975  1
  Pd  Pd5  2  0.0000  0.0000  0.3755  1
  Pd  Pd6  2  0.0000  0.0000  0.6277  1
]