data_NbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPd2
_chemical_formula_sum   'Nb4 Pd8'
_cell_volume   198.77
_cell_formula_units_Z   4
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  0.0  0.0  0.39  1.0
  Nb  Nb1  1  0.0  0.0  0.85  1.0
  Nb  Nb2  1  0.6  0.5  0.62  1.0
  Nb  Nb3  1  0.6  0.5  0.09  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pd  Pd5  1  0.0  0.0  0.24  1.0
  Pd  Pd6  1  0.0  0.53  0.36  1.0
  Pd  Pd7  1  0.73  0.74  0.36  1.0
  Pd  Pd8  1  0.33  0.77  0.12  1.0
  Pd  Pd9  1  0.27  0.74  0.36  1.0
  Pd  Pd10  1  0.88  0.77  0.12  1.0
  Pd  Pd11  1  0.6  0.97  0.12  1.0

data_NbPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPd2
_chemical_formula_sum   'Nb4 Pd8'
_cell_volume   198.77
_cell_formula_units_Z   4
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  0.0  0.0  0.39  1.0
  Nb  Nb1  1  0.0  0.0  0.85  1.0
  Nb  Nb2  1  0.6  0.5  0.09  1.0
  Nb  Nb3  1  0.6  0.5  0.62  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pd  Pd5  1  0.0  0.0  0.24  1.0
  Pd  Pd6  1  0.0  0.53  0.36  1.0
  Pd  Pd7  1  0.27  0.74  0.36  1.0
  Pd  Pd8  1  0.33  0.77  0.12  1.0
  Pd  Pd9  1  0.6  0.97  0.12  1.0
  Pd  Pd10  1  0.73  0.74  0.36  1.0
  Pd  Pd11  1  0.88  0.77  0.12  1.0

Nb Nb Nb Nb Pd Pd Pd Pd Pd Pd Pd Pd
Nb Nb Nb Nb Pd Pd Pd Pd Pd Pd Pd Pd 0 7 - - o 0 5 o o o 0 2 - - o 1 4 o o + 1 2 - - o 2 6 + o o 2 7 o o o 3 10 o o o 4 10 - - o 5 10 - - o 5 7 - - o 6 9 o o o 8 11 o o o 