data_[Nd9In3Pd24]
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 [R3m]
_cell_length_a [5.4940]
_cell_length_b [5.4940]
_cell_length_c [26.9228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nd3InPd8]
_chemical_formula_sum '[Nd9 In3 Pd24]'
_cell_volume [703.7628]
_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  3  0.0000  0.0000  0.3774  1
  Nd  Nd1  3  0.0000  0.0000  0.5064  1
  Nd  Nd2  3  0.0000  0.0000  0.9914  1
  In  In3  3  0.0000  0.0000  0.8679  1
  Pd  Pd4  9  0.0020  0.5010  0.9385  1
  Pd  Pd5  9  0.1671  0.3341  0.7714  1
  Pd  Pd6  3  0.0000  0.0000  0.1885  1
  Pd  Pd7  3  0.0000  0.0000  0.6886  1
]