data_Ba2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04
_cell_length_b   9.04
_cell_length_c   9.04
_cell_angle_alpha   149.18
_cell_angle_beta   131.11
_cell_angle_gamma   58.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Sb
_chemical_formula_sum   'Ba4 Sb2'
_cell_volume   282.71
_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  0.4  0.0  0.27  1.0
  Ba  Ba1  1  0.0  0.4  0.0  1.0
  Ba  Ba2  1  0.0  0.08  0.0  1.0
  Ba  Ba3  1  0.0  0.74  0.6  1.0
  Sb  Sb4  1  0.0  0.0  0.72  1.0
  Sb  Sb5  1  0.0  0.0  0.01  1.0

data_Ba2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.8
_cell_length_b   7.48
_cell_length_c   9.04
_cell_angle_alpha   114.44
_cell_angle_beta   105.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Sb
_chemical_formula_sum   'Ba4 Sb2'
_cell_volume   282.71
_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  0.27  0.87  1.0
  Ba  Ba1  1  0.26  0.86  0.86  1.0
  Ba  Ba2  1  0.6  0.6  0.6  1.0
  Ba  Ba3  1  0.92  0.92  0.92  1.0
  Sb  Sb4  1  0.0  0.01  0.01  1.0
  Sb  Sb5  1  0.0  0.72  0.72  1.0

Ba Ba Ba Ba Sb Sb
Ba Ba Ba Ba Sb Sb 0 3 o - - 0 2 o o o 0 5 o o o 1 4 o o - 2 5 o o o 3 4 o + o 