data_NbPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   5.54
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPd3
_chemical_formula_sum   'Nb2 Pd6'
_cell_volume   125.21
_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  1  0.0  0.0  0.69  1.0
  Nb  Nb1  1  0.3  0.77  0.22  1.0
  Pd  Pd2  1  0.3  0.0  0.23  1.0
  Pd  Pd3  1  0.0  0.38  0.11  1.0
  Pd  Pd4  1  0.3  0.39  0.8  1.0
  Pd  Pd5  1  0.0  0.77  0.68  1.0
  Pd  Pd6  1  0.0  0.16  0.11  1.0
  Pd  Pd7  1  0.3  0.16  0.8  1.0

data_NbPd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.6
_cell_length_b   4.91
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPd3
_chemical_formula_sum   'Nb2 Pd6'
_cell_volume   125.21
_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  1  0.0  0.31  0.0  1.0
  Nb  Nb1  1  0.7  0.78  0.23  1.0
  Pd  Pd2  1  0.0  0.32  0.23  1.0
  Pd  Pd3  1  0.0  0.89  0.62  1.0
  Pd  Pd4  1  0.0  0.89  0.84  1.0
  Pd  Pd5  1  0.7  0.2  0.61  1.0
  Pd  Pd6  1  0.7  0.2  0.84  1.0
  Pd  Pd7  1  0.7  0.77  0.0  1.0

Nb Nb Pd Pd Pd Pd Pd Pd