data_Ba2SrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   7.07
_cell_angle_alpha   135.74
_cell_angle_beta   135.74
_cell_angle_gamma   64.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrSb
_chemical_formula_sum   'Ba2 Sr1 Sb1'
_cell_volume   169.62
_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  0.66  0.0  0.99  1.0
  Ba  Ba1  1  0.0  0.0  0.98  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.66  0.99  1.0

data_Ba2SrSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   7.07
_cell_angle_alpha   112.13
_cell_angle_beta   112.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrSb
_chemical_formula_sum   'Ba2 Sr1 Sb1'
_cell_volume   169.62
_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  0.98  0.98  0.98  1.0
  Ba  Ba1  1  0.99  0.33  0.33  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.33  0.99  0.33  1.0

Ba Ba Sr Sb
Ba Ba Sr Sb 0 3 + - o 0 2 + o + 0 1 + o o 1 2 o o + 1 3 o - o 2 3 o - - 