data_Sb2TeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.39
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   110.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2TeOs
_chemical_formula_sum   'Sb2 Te1 Os1'
_cell_volume   96.56
_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  Sb1  1  0.32  0.0  0.21  1.0
  Sb  Sb2  1  0.71  0.2  0.79  1.0
  Te  Te3  1  0.86  0.0  0.02  1.0
  Os  Os0  1  0.15  0.2  0.03  1.0

data_Sb2TeOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.68
_cell_length_c   5.02
_cell_angle_alpha   110.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2TeOs
_chemical_formula_sum   'Sb2 Te1 Os1'
_cell_volume   96.56
_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  0.68  0.79  1.0
  Sb  Sb1  1  0.8  0.29  0.21  1.0
  Te  Te2  1  0.0  0.14  0.98  1.0
  Os  Os3  1  0.8  0.85  0.97  1.0

Sb Sb Te Os
Sb Sb Te Os 0 3 o o o 1 2 o o + 2 3 + o o 