data_Sb2PAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   136.11
_cell_angle_beta   114.48
_cell_angle_gamma   82.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PAu
_chemical_formula_sum   'Sb2 P1 Au1'
_cell_volume   91.61
_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  Sb2  1  0.0  0.88  0.08  1.0
  Sb  Sb3  1  0.99  0.0  0.92  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.01  1.0

data_Sb2PAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   65.52
_cell_angle_beta   68.06
_cell_angle_gamma   68.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PAu
_chemical_formula_sum   'Sb2 P1 Au1'
_cell_volume   91.61
_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  0.01  0.92  1.0
  Sb  Sb1  1  0.88  -0.0  0.21  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  -0.0  0.01  1.0

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