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 [P1]
_cell_length_a [5.4577]
_cell_length_b [6.6153]
_cell_length_c [7.3875]
_cell_angle_alpha [116.2512]
_cell_angle_beta [98.2777]
_cell_angle_gamma [104.5915]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nb(Pd2Pt)2]
_chemical_formula_sum '[Nb2 Pd8 Pt4]'
_cell_volume [221.2487]
_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  1  0.3849  0.9000  0.0127  1
  Nb  Nb1  1  0.6527  0.6033  0.6676  1
  Pd  Pd2  1  0.0762  0.0421  0.8154  1
  Pd  Pd3  1  0.1172  0.5867  0.5741  1
  Pd  Pd4  1  0.2230  0.1945  0.5414  1
  Pd  Pd5  1  0.3455  0.3370  0.2521  1
  Pd  Pd6  1  0.4879  0.4962  0.9632  1
  Pd  Pd7  1  0.8131  0.3070  0.1363  1
  Pd  Pd8  1  0.9147  0.9094  0.1027  1
  Pd  Pd9  1  0.9629  0.4583  0.8646  1
  Pt  Pt10  1  0.2561  0.7489  0.2873  1
  Pt  Pt11  1  0.5480  0.9987  0.7145  1
  Pt  Pt12  1  0.6887  0.1642  0.4255  1
  Pt  Pt13  1  0.7791  0.7538  0.3926  1
]