data_[Nb2Pd8Pt4]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8911]
_cell_length_b [5.0923]
_cell_length_c [7.3171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nb(Pd2Pt)2]
_chemical_formula_sum '[Nb2 Pd8 Pt4]'
_cell_volume [227.3856]
_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  2  0.0371  0.2500  0.8004  1
  Pd  Pd1  4  0.3809  0.0017  0.7724  1
  Pd  Pd2  2  0.2429  0.2500  0.2012  1
  Pd  Pd3  2  0.3829  0.7500  0.4253  1
  Pt  Pt4  2  0.0294  0.2500  0.4317  1
  Pt  Pt5  2  0.2098  0.7500  0.0043  1
]