data_SbPAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   3.02
_cell_angle_alpha   99.32
_cell_angle_beta   99.32
_cell_angle_gamma   119.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPAu2
_chemical_formula_sum   'Sb1 P1 Au2'
_cell_volume   79.78
_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
  Sb  Sb3  1  0.85  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.94  0.56  0.43  1.0
  Au  Au1  1  0.94  0.44  0.43  1.0

data_SbPAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   5.54
_cell_length_c   5.66
_cell_angle_alpha   115.59
_cell_angle_beta   99.32
_cell_angle_gamma   102.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPAu2
_chemical_formula_sum   'Sb1 P1 Au2'
_cell_volume   79.78
_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
  Sb  Sb0  1  0.0  0.0  0.85  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.87  0.44  0.38  1.0
  Au  Au3  1  0.99  0.56  0.5  1.0

Sb P Au Au
Sb P Au Au 0 1 + o o 2 3 o o o 