data_[Nb2Ag6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8556]
_cell_length_b [4.0678]
_cell_length_c [9.1070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nb(AgPd2)3]
_chemical_formula_sum '[Nb2 Ag6 Pd12]'
_cell_volume [327.8489]
_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  0.0626  0.2500  0.3742  1
  Ag  Ag1  2  0.2501  0.2500  0.9970  1
  Ag  Ag2  2  0.3479  0.7500  0.7973  1
  Ag  Ag3  2  0.4491  0.2500  0.5993  1
  Pd  Pd4  2  0.0482  0.7500  0.8977  1
  Pd  Pd5  2  0.1340  0.2500  0.6858  1
  Pd  Pd6  2  0.1513  0.7500  0.2024  1
  Pd  Pd7  2  0.2305  0.7500  0.4975  1
  Pd  Pd8  2  0.3467  0.2500  0.3011  1
  Pd  Pd9  2  0.4488  0.7500  0.0999  1
]