data_[Ni12Pd4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.4813]
_cell_length_b [4.5489]
_cell_length_c [5.0030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ni3PdRh]
_chemical_formula_sum '[Ni12 Pd4 Rh4]'
_cell_volume [251.6546]
_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
[
  Ni  Ni0  4  0.1073  0.4363  0.7033  1.0
  Ni  Ni1  4  0.1987  0.9327  0.8982  1.0
  Ni  Ni2  4  0.2011  0.7642  0.3984  1.0
  Pd  Pd3  4  0.1061  0.2673  0.2076  1.0
  Rh  Rh4  2  0.0000  0.7611  0.0000  1.0
  Rh  Rh5  2  0.0000  0.9229  0.5000  1.0
]