data_Ta2OsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   3.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2OsAu
_chemical_formula_sum   'Ta2 Os1 Au1'
_cell_volume   67.46
_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
  Ta  Ta2  1  0.43  0.95  0.52  1.0
  Ta  Ta3  1  0.43  0.05  0.52  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.85  0.0  0.0  1.0

data_Ta2OsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   107.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2OsAu
_chemical_formula_sum   'Ta2 Os1 Au1'
_cell_volume   67.46
_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
  Ta  Ta0  1  0.52  0.43  0.05  1.0
  Ta  Ta1  1  0.52  0.43  0.95  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.85  0.0  1.0

Ta Ta Os Au