data_[Nb4Pd4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.1222]
_cell_length_b [13.4724]
_cell_length_c [4.5552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NbPdRu]
_chemical_formula_sum '[Nb4 Pd4 Ru4]'
_cell_volume [191.6097]
_cell_formula_units_Z [4]
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
[
  Nb  Nb0  4  0.5000  0.1620  0.6442  1.0
  Ru  Ru1  4  0.0000  0.1774  0.1417  1.0
  Pd  Pd2  2  0.0000  0.0000  0.4975  1.0
  Pd  Pd3  2  0.5000  0.0000  0.0047  1.0
]