data_Ba2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.47
_cell_length_b   11.47
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   154.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Sb
_chemical_formula_sum   'Ba4 Sb2'
_cell_volume   401.06
_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  0.56  0.36  0.26  1.0
  Ba  Ba1  1  0.56  0.79  0.26  1.0
  Ba  Ba2  1  0.56  0.21  0.75  1.0
  Ba  Ba3  1  0.56  0.64  0.75  1.0
  Sb  Sb4  1  0.56  0.25  0.26  1.0
  Sb  Sb5  1  0.56  0.75  0.75  1.0

data_Ba2Sb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.11
_cell_length_b   7.02
_cell_length_c   11.47
_cell_angle_alpha   90.0
_cell_angle_beta   102.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ba2Sb
_chemical_formula_sum   'Ba4 Sb2'
_cell_volume   401.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.21  0.75  0.21  1.0
  Ba  Ba1  2  0.36  0.25  0.36  1.0
  Sb  Sb2  2  0.25  0.25  0.25  1.0

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