data_BaBiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.66
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBiSb2
_chemical_formula_sum   'Ba1 Bi1 Sb2'
_cell_volume   134.87
_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  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.5  1.0
  Sb  Sb2  1  0.07  0.33  0.99  1.0
  Sb  Sb3  1  0.07  0.33  0.02  1.0

data_BaBiSb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.13
_cell_length_b   7.0
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaBiSb2
_chemical_formula_sum   'Ba1 Bi1 Sb2'
_cell_volume   134.87
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.5  0.0  1.0
  Sb  Sb2  2  0.07  0.01  0.33  1.0

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