data_BaSbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   6.28
_cell_angle_alpha   111.61
_cell_angle_beta   111.61
_cell_angle_gamma   56.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSbAu2
_chemical_formula_sum   'Ba1 Sb1 Au2'
_cell_volume   114.52
_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  Ba2  1  0.02  0.0  0.85  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.2  0.0  0.89  1.0
  Au  Au1  1  0.84  0.0  0.81  1.0

data_BaSbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   4.91
_cell_length_c   6.28
_cell_angle_alpha   111.61
_cell_angle_beta   90.0
_cell_angle_gamma   118.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSbAu2
_chemical_formula_sum   'Ba1 Sb1 Au2'
_cell_volume   114.52
_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  0.98  0.15  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.16  0.19  1.0
  Au  Au3  1  0.0  0.8  0.11  1.0

Ba Sb Au Au