data_SbOsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbOsBr2
_chemical_formula_sum   'Sb1 Os1 Br2'
_cell_volume   85.65
_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  0.0  0.0  0.0  1.0
  Os  Os2  1  0.19  0.0  0.0  1.0
  Br  Br0  1  0.59  0.14  0.57  1.0
  Br  Br1  1  0.59  0.86  0.57  1.0

data_SbOsBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   106.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbOsBr2
_chemical_formula_sum   'Sb1 Os1 Br2'
_cell_volume   85.65
_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  0.0  1.0
  Os  Os1  1  0.0  0.19  0.0  1.0
  Br  Br2  1  0.57  0.59  0.86  1.0
  Br  Br3  1  0.57  0.59  0.14  1.0

Sb Os Br Br
Sb Os Br Br 0 1 o o o 2 3 o - o 