data_[Nd6In3Pd27]
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 [R-3m]
_cell_length_a [5.3924]
_cell_length_b [5.3924]
_cell_length_c [27.1581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd2InPd9]
_chemical_formula_sum '[Nd6 In3 Pd27]'
_cell_volume [683.9112]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1353  1
  In  In1  3  0.0000  0.0000  0.0000  1
  Pd  Pd2  18  0.0026  0.5013  0.9153  1
  Pd  Pd3  6  0.0000  0.0000  0.3332  1
  Pd  Pd4  3  -0.0000  -0.0000  0.5000  1
]