data_[Nb4Ni2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5381]
_cell_length_b [6.1428]
_cell_length_c [4.9577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2NiPd8]
_chemical_formula_sum '[Nb4 Ni2 Pd16]'
_cell_volume [363.9428]
_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
[
  Nb  Nb0  4  0.1377  0.0000  0.4842  1
  Ni  Ni1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.0690  0.2878  0.7665  1
  Pd  Pd3  4  0.1451  0.5000  0.3275  1
  Pd  Pd4  4  0.2284  0.0000  0.0769  1
]