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 [C2/m]
_cell_length_a [9.0397]
_cell_length_b [3.8682]
_cell_length_c [5.7175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbPdRh]
_chemical_formula_sum '[Nb4 Pd4 Rh4]'
_cell_volume [189.4141]
_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  0.0031  0.0000  0.7603  1.0
  Pd  Pd1  4  0.1668  0.5000  0.5839  1.0
  Rh  Rh2  4  0.1649  0.5000  0.0780  1.0
]