data_Nb2SbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   3.0
_cell_angle_alpha   95.35
_cell_angle_beta   95.35
_cell_angle_gamma   112.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SbAu
_chemical_formula_sum   'Nb2 Sb1 Au1'
_cell_volume   75.4
_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  Nb1  1  0.21  0.18  0.48  1.0
  Nb  Nb2  1  0.21  0.82  0.48  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.92  0.0  0.0  1.0

data_Nb2SbAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   112.32
_cell_angle_beta   95.35
_cell_angle_gamma   95.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SbAu
_chemical_formula_sum   'Nb2 Sb1 Au1'
_cell_volume   75.4
_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  0.48  0.21  0.18  1.0
  Nb  Nb1  1  0.48  0.21  0.82  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.92  0.0  1.0

Nb Nb Sb Au
Nb Nb Sb Au 0 2 o o o 0 2 o o + 0 3 - o o 0 1 o - o 1 2 o + o 1 2 o + + 2 3 - o o 