data_BaSrAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98
_cell_length_b   7.98
_cell_length_c   7.98
_cell_angle_alpha   147.88
_cell_angle_beta   146.5
_cell_angle_gamma   47.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrAu2
_chemical_formula_sum   'Ba1 Sr1 Au2'
_cell_volume   148.58
_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  0.0  0.3  0.07  1.0
  Sr  Sr3  1  0.0  0.0  0.15  1.0
  Au  Au0  1  0.0  0.3  0.26  1.0
  Au  Au1  1  0.0  0.0  0.47  1.0

data_BaSrAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.6
_cell_length_c   7.98
_cell_angle_alpha   106.75
_cell_angle_beta   106.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrAu2
_chemical_formula_sum   'Ba1 Sr1 Au2'
_cell_volume   148.58
_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  0.93  0.23  0.23  1.0
  Sr  Sr1  1  0.85  0.85  0.85  1.0
  Au  Au2  1  0.53  0.53  0.53  1.0
  Au  Au3  1  0.74  0.04  0.04  1.0

Ba Sr Au Au