data_Sb2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78
_cell_length_b   7.78
_cell_length_c   7.78
_cell_angle_alpha   156.24
_cell_angle_beta   148.93
_cell_angle_gamma   39.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2OsCl
_chemical_formula_sum   'Sb2 Os1 Cl1'
_cell_volume   97.89
_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  0.0  0.74  1.0
  Sb  Sb3  1  0.6  0.0  0.4  1.0
  Os  Os1  1  0.0  0.08  0.32  1.0
  Cl  Cl0  1  0.0  0.0  0.83  1.0

data_Sb2OsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.17
_cell_length_c   7.78
_cell_angle_alpha   105.53
_cell_angle_beta   101.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2OsCl
_chemical_formula_sum   'Sb2 Os1 Cl1'
_cell_volume   97.89
_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  0.2  0.6  0.2  1.0
  Sb  Sb1  1  0.26  0.26  0.26  1.0
  Os  Os2  1  0.68  0.76  0.76  1.0
  Cl  Cl3  1  0.17  0.17  0.17  1.0

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