data_[Nb2Pd4Pt6]
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 [5.6558]
_cell_length_b [3.9654]
_cell_length_c [8.4660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NbPd2Pt3]
_chemical_formula_sum '[Nb2 Pd4 Pt6]'
_cell_volume [189.8654]
_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  0.1300  0.2500  0.2536  1.0
  Pd  Pd1  2  0.1246  0.2500  0.9189  1.0
  Pd  Pd2  2  0.3757  0.7500  0.4123  1.0
  Pt  Pt3  2  0.1193  0.2500  0.5855  1.0
  Pt  Pt4  2  0.3683  0.7500  0.7525  1.0
  Pt  Pt5  2  0.3691  0.7500  0.0913  1.0
]