data_[Nb4Pd4Rh4]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5083]
_cell_length_b [2.9134]
_cell_length_c [14.4244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NbPdRh]
_chemical_formula_sum '[Nb4 Pd4 Rh4]'
_cell_volume [189.4579]
_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  2  0.0000  0.0000  0.2426  1.0
  Nb  Nb1  2  0.5000  0.0000  0.0215  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5742  1.0
  Pd  Pd3  2  0.5000  0.0000  0.3567  1.0
  Rh  Rh4  2  0.0000  0.0000  0.9050  1.0
  Rh  Rh5  2  0.5000  0.0000  0.6876  1.0
]