data_NbPPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   3.81
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPPd
_chemical_formula_sum   'Nb4 P4 Pd4'
_cell_volume   179.3
_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  0.18  0.95  0.94  1.0
  Nb  Nb1  1  0.97  0.85  0.2  1.0
  Nb  Nb2  1  0.11  0.85  0.55  1.0
  Nb  Nb3  1  0.32  0.95  0.29  1.0
  P  P4  1  0.62  0.95  0.8  1.0
  P  P5  1  0.53  0.85  0.55  1.0
  P  P6  1  0.68  0.85  0.68  1.0
  P  P7  1  0.76  0.95  0.94  1.0
  Pd  Pd8  1  0.04  0.95  0.22  1.0
  Pd  Pd9  1  0.4  0.85  0.96  1.0
  Pd  Pd10  1  0.26  0.85  0.27  1.0
  Pd  Pd11  1  0.89  0.95  0.53  1.0

data_NbPPd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.81
_cell_length_b   6.29
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbPPd
_chemical_formula_sum   'Nb4 P4 Pd4'
_cell_volume   179.3
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.05  0.68  0.55  1.0
  Nb  Nb1  2  0.05  0.53  0.2  1.0
  P  P2  2  0.05  0.12  0.2  1.0
  P  P3  2  0.05  0.97  0.06  1.0
  Pd  Pd4  2  0.05  0.24  0.78  1.0
  Pd  Pd5  2  0.05  0.39  0.47  1.0

Nb Nb Nb Nb P P P P Pd Pd Pd Pd