data_TiOs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.82
_cell_angle_alpha   101.74
_cell_angle_beta   101.74
_cell_angle_gamma   34.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiOs2Au
_chemical_formula_sum   'Ti1 Os2 Au1'
_cell_volume   62.04
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.54  0.0  0.09  1.0
  Os  Os2  1  0.6  0.0  0.62  1.0
  Au  Au0  1  0.07  0.0  0.35  1.0

data_TiOs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.8
_cell_length_c   4.82
_cell_angle_alpha   101.74
_cell_angle_beta   90.0
_cell_angle_gamma   107.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiOs2Au
_chemical_formula_sum   'Ti1 Os2 Au1'
_cell_volume   62.04
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.4  0.38  1.0
  Os  Os2  1  0.0  0.46  0.91  1.0
  Au  Au3  1  0.0  0.93  0.65  1.0

Ti Os Os Au