data_OsAuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.39
_cell_length_c   2.97
_cell_angle_alpha   84.77
_cell_angle_beta   72.7
_cell_angle_gamma   22.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsAuCl
_chemical_formula_sum   'Os1 Au1 Cl1'
_cell_volume   53.46
_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
  Os  Os2  1  0.41  0.61  0.84  1.0
  Au  Au0  1  0.41  0.61  0.19  1.0
  Cl  Cl1  1  0.41  0.61  0.48  1.0

data_OsAuCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.83
_cell_length_b   14.51
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   118.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   OsAuCl
_chemical_formula_sum   'Os2 Au2 Cl2'
_cell_volume   106.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Os  Os0  2  0.11  0.5  0.75  1.0
  Au  Au1  2  0.11  0.5  0.4  1.0
  Cl  Cl2  2  0.11  0.5  0.1  1.0

Os Au Cl
Os Au Cl 0 2 o o o 0 1 o o + 1 2 o o o 