data_BaYSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   7.2
_cell_angle_alpha   146.4
_cell_angle_beta   146.4
_cell_angle_gamma   48.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYSb
_chemical_formula_sum   'Ba1 Y1 Sb1'
_cell_volume   113.78
_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  0.0  0.0  0.17  1.0
  Y  Y2  1  0.0  0.0  0.72  1.0
  Sb  Sb1  1  0.0  0.0  0.25  1.0

data_BaYSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   114.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaYSb
_chemical_formula_sum   'Ba2 Y2 Sb2'
_cell_volume   227.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.17  0.0  0.17  1.0
  Y  Y1  2  0.22  0.5  0.72  1.0
  Sb  Sb2  2  0.25  0.0  0.25  1.0

Ba Y Sb
Ba Y Sb 0 2 o o o 0 1 o o o 0 1 o o - 1 1 + o + 1 1 o + + 1 2 o o o 1 2 o o + 