data_NbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.78
_cell_length_b   9.78
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPd2
_chemical_formula_sum   'Nb10 Pd20'
_cell_volume   492.37
_cell_formula_units_Z   10
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  0.89  0.89  0.57  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.45  0.48  0.57  1.0
  Nb  Nb3  1  0.33  0.3  0.57  1.0
  Nb  Nb4  1  0.19  0.56  0.0  1.0
  Nb  Nb5  1  0.59  0.23  0.0  1.0
  Nb  Nb6  1  0.23  0.59  0.0  1.0
  Nb  Nb7  1  0.56  0.19  0.0  1.0
  Nb  Nb8  1  0.48  0.45  0.57  1.0
  Nb  Nb9  1  0.3  0.33  0.57  1.0
  Pd  Pd10  1  0.81  0.97  0.57  1.0
  Pd  Pd11  1  0.97  0.81  0.57  1.0
  Pd  Pd12  1  0.92  0.92  0.0  1.0
  Pd  Pd13  1  0.87  0.87  0.0  1.0
  Pd  Pd14  1  0.19  0.33  0.57  1.0
  Pd  Pd15  1  0.59  0.46  0.57  1.0
  Pd  Pd16  1  0.56  0.3  0.0  1.0
  Pd  Pd17  1  0.22  0.48  0.0  1.0
  Pd  Pd18  1  0.48  0.22  0.0  1.0
  Pd  Pd19  1  0.3  0.56  0.0  1.0
  Pd  Pd20  1  0.33  0.19  0.57  1.0
  Pd  Pd21  1  0.46  0.59  0.57  1.0
  Pd  Pd22  1  0.96  0.96  0.85  1.0
  Pd  Pd23  1  0.82  0.82  0.85  1.0
  Pd  Pd24  1  0.71  0.07  0.28  1.0
  Pd  Pd25  1  0.07  0.71  0.28  1.0
  Pd  Pd26  1  0.71  0.07  0.87  1.0
  Pd  Pd27  1  0.07  0.71  0.87  1.0
  Pd  Pd28  1  0.96  0.96  0.3  1.0
  Pd  Pd29  1  0.82  0.82  0.3  1.0

data_NbPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   13.84
_cell_length_b   13.84
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbPd2
_chemical_formula_sum   'Nb20 Pd40'
_cell_volume   984.75
_cell_formula_units_Z   20
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.32  0.02  0.57  1.0
  Nb  Nb1  4  0.37  0.18  0.0  1.0
  Nb  Nb2  4  0.41  0.18  0.0  1.0
  Nb  Nb3  4  0.47  0.02  0.57  1.0
  Nb  Nb4  2  0.0  0.0  0.0  1.0
  Nb  Nb5  2  0.39  0.5  0.57  1.0
  Pd  Pd6  4  0.02  0.43  0.57  1.0
  Pd  Pd7  4  0.26  0.07  0.57  1.0
  Pd  Pd8  4  0.35  0.13  0.0  1.0
  Pd  Pd9  4  0.39  0.32  0.28  1.0
  Pd  Pd10  4  0.39  0.32  0.87  1.0
  Pd  Pd11  4  0.39  0.42  0.57  1.0
  Pd  Pd12  4  0.43  0.13  0.0  1.0
  Pd  Pd13  2  0.32  0.5  0.3  1.0
  Pd  Pd14  2  0.32  0.5  0.85  1.0
  Pd  Pd15  2  0.37  0.5  0.0  1.0
  Pd  Pd16  2  0.42  0.5  0.0  1.0
  Pd  Pd17  2  0.46  0.5  0.3  1.0
  Pd  Pd18  2  0.46  0.5  0.85  1.0

Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd