data_Os2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.8
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2AuCl
_chemical_formula_sum   'Os2 Au1 Cl1'
_cell_volume   65.3
_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  0.0  0.4  0.48  1.0
  Os  Os3  1  0.37  0.4  0.0  1.0
  Au  Au0  1  0.37  0.0  0.48  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Os2AuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.8
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2AuCl
_chemical_formula_sum   'Os2 Au1 Cl1'
_cell_volume   65.3
_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  Os0  1  0.0  0.4  0.48  1.0
  Os  Os1  1  0.37  0.4  -0.0  1.0
  Au  Au2  1  0.37  0.0  0.48  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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