data_Ba3Sr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   8.82
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Sr
_chemical_formula_sum   'Ba6 Sr2'
_cell_volume   493.14
_cell_formula_units_Z   2
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  0.64  0.0  0.59  1.0
  Ba  Ba1  1  0.0  0.41  0.09  1.0
  Ba  Ba2  1  0.0  0.2  0.27  1.0
  Ba  Ba3  1  0.0  0.62  0.27  1.0
  Ba  Ba4  1  0.64  0.6  0.41  1.0
  Ba  Ba5  1  0.64  0.21  0.41  1.0
  Sr  Sr6  1  0.0  0.0  0.14  1.0
  Sr  Sr7  1  0.64  0.41  0.54  1.0

data_Ba3Sr
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.28
_cell_length_b   7.68
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Sr
_chemical_formula_sum   'Ba6 Sr2'
_cell_volume   493.14
_cell_formula_units_Z   2
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  0.91  0.59  1.0
  Ba  Ba1  1  0.0  0.73  0.8  1.0
  Ba  Ba2  1  0.0  0.73  0.38  1.0
  Ba  Ba3  1  0.36  0.41  0.0  1.0
  Ba  Ba4  1  0.36  0.59  0.4  1.0
  Ba  Ba5  1  0.36  0.59  0.79  1.0
  Sr  Sr6  1  0.0  0.86  0.0  1.0
  Sr  Sr7  1  0.36  0.46  0.59  1.0

Ba Ba Ba Ba Ba Ba Sr Sr