data_OsWAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.41
_cell_length_c   2.74
_cell_angle_alpha   83.89
_cell_angle_beta   75.17
_cell_angle_gamma   20.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsWAu
_chemical_formula_sum   'Os1 W1 Au1'
_cell_volume   49.34
_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  Os1  1  0.47  0.31  0.82  1.0
  W  W2  1  0.47  0.31  0.72  1.0
  Au  Au0  1  0.47  0.31  0.51  1.0

data_OsWAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.94
_cell_length_b   14.52
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   122.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   OsWAu
_chemical_formula_sum   'Os2 W2 Au2'
_cell_volume   98.68
_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  0.4  0.0  0.71  1.0
  W  W1  2  0.5  0.0  0.81  1.0
  Au  Au2  2  0.21  0.5  0.02  1.0

Os W Au
Os W Au 0 1 o o o 1 2 o o o 