data_NbSbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.25
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   102.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSbPd2
_chemical_formula_sum   'Nb1 Sb1 Pd2'
_cell_volume   71.64
_cell_formula_units_Z   1
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  0.0  1.0
  Sb  Sb3  1  0.39  0.0  0.79  1.0
  Pd  Pd1  1  0.4  0.13  0.34  1.0
  Pd  Pd2  1  0.4  0.13  0.25  1.0

data_NbSbPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.25
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   102.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSbPd2
_chemical_formula_sum   'Nb1 Sb1 Pd2'
_cell_volume   71.64
_cell_formula_units_Z   1
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  0.0  1.0
  Sb  Sb1  1  0.39  0.0  0.79  1.0
  Pd  Pd2  1  0.4  0.13  0.34  1.0
  Pd  Pd3  1  0.4  0.13  0.25  1.0

Nb Sb Pd Pd
Nb Sb Pd Pd 0 1 - o - 0 1 o o - 0 3 o o o 0 2 o o o 2 3 o o o 