data_Ba2OsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   5.31
_cell_angle_alpha   112.11
_cell_angle_beta   112.11
_cell_angle_gamma   33.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2OsAu
_chemical_formula_sum   'Ba2 Os1 Au1'
_cell_volume   119.84
_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
  Ba  Ba1  1  0.15  0.0  0.09  1.0
  Ba  Ba2  1  0.29  0.0  0.47  1.0
  Os  Os3  1  0.92  0.0  0.31  1.0
  Au  Au0  1  0.63  0.0  0.45  1.0

data_Ba2OsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   5.31
_cell_length_c   6.66
_cell_angle_alpha   112.11
_cell_angle_beta   106.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2OsAu
_chemical_formula_sum   'Ba2 Os1 Au1'
_cell_volume   119.84
_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
  Ba  Ba0  1  0.0  0.09  0.15  1.0
  Ba  Ba1  1  0.0  0.47  0.29  1.0
  Os  Os2  1  0.0  0.31  0.92  1.0
  Au  Au3  1  0.0  0.45  0.63  1.0

Ba Ba Os Au