data_TaOsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOsAu2
_chemical_formula_sum   'Ta1 Os1 Au2'
_cell_volume   69.99
_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  Ta3  1  0.0  0.0  0.11  1.0
  Os  Os2  1  0.1  0.0  0.63  1.0
  Au  Au0  1  0.1  0.0  0.05  1.0
  Au  Au1  1  0.0  0.0  0.68  1.0

data_TaOsAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaOsAu2
_chemical_formula_sum   'Ta1 Os1 Au2'
_cell_volume   70.04
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.11  1.0
  Os  Os1  1  0.1  0.0  0.63  1.0
  Au  Au2  1  0.0  0.0  0.68  1.0
  Au  Au3  1  0.1  0.0  0.05  1.0

Ta Os Au Au
Ta Os Au Au 0 2 o o o 1 3 o o o 