data_[Nd3Sn3Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6885]
_cell_length_b [7.6885]
_cell_length_c [4.1308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [NdSnPd]
_chemical_formula_sum '[Nd3 Sn3 Pd3]'
_cell_volume [211.4691]
_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  0.5894  0.0000  1.0
  Sn  Sn1  3  0.0000  0.2524  0.5000  1.0
  Pd  Pd2  2  0.3333  0.6667  0.5000  1.0
  Pd  Pd3  1  0.0000  0.0000  0.0000  1.0
]