data_[Nd3Cd6In3Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  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 [4.7906]
_cell_length_b [4.7906]
_cell_length_c [23.2680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NdCd2InPd4]
_chemical_formula_sum '[Nd3 Cd6 In3 Pd12]'
_cell_volume [462.4585]
_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  0.0000  1.0
  Cd  Cd1  6  0.0000  0.0000  0.2506  1.0
  In  In2  3  -0.0000  -0.0000  0.5000  1.0
  Pd  Pd3  6  0.0000  0.0000  0.1290  1.0
  Pd  Pd4  6  0.0000  0.0000  0.3836  1.0
]