data_[Nb2Pd10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.8752]
_cell_length_b [8.4526]
_cell_length_c [4.8421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbPd5]
_chemical_formula_sum '[Nb2 Pd10]'
_cell_volume [188.3145]
_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  0.0000  0.5000  0.5000  1.0
  Pd  Pd1  4  0.0000  0.1659  0.5000  1.0
  Pd  Pd2  4  0.0000  0.3356  0.0000  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
]