data_[Ni12Pd4W2]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3744]
_cell_length_b [4.2306]
_cell_length_c [6.4798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni6Pd2W]
_chemical_formula_sum '[Ni12 Pd4 W2]'
_cell_volume [223.8279]
_cell_formula_units_Z [2]
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  0.1140  0.5000  0.1636  1
  Ni  Ni1  4  0.1792  0.0000  0.5058  1
  Ni  Ni2  4  0.2274  0.5000  0.8243  1
  Pd  Pd3  4  0.0552  0.0000  0.8236  1
  W  W4  2  0.0000  0.5000  0.5000  1
]