data_Sb2AsOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   4.74
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2AsOs
_chemical_formula_sum   'Sb2 As1 Os1'
_cell_volume   81.33
_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  0.67  0.37  0.0  1.0
  Sb  Sb3  1  0.0  0.37  0.58  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.67  0.0  0.58  1.0

data_Sb2AsOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.74
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2AsOs
_chemical_formula_sum   'Sb2 As1 Os1'
_cell_volume   81.33
_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  0.37  0.58  1.0
  Sb  Sb1  1  0.67  0.37  0.0  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.67  0.0  0.58  1.0

Sb Sb As Os
Sb Sb As Os 0 2 + o o 0 1 + o - 1 3 - o o 2 3 - o - 