data_BaInSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.68
_cell_length_c   3.86
_cell_angle_alpha   76.45
_cell_angle_beta   70.57
_cell_angle_gamma   32.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInSb
_chemical_formula_sum   'Ba1 In1 Sb1'
_cell_volume   90.88
_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  0.46  0.97  0.42  1.0
  In  In1  1  0.46  0.97  0.27  1.0
  Sb  Sb2  1  0.46  0.97  0.17  1.0

data_BaInSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.92
_cell_length_b   12.43
_cell_length_c   3.86
_cell_angle_alpha   90.0
_cell_angle_beta   129.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaInSb
_chemical_formula_sum   'Ba2 In2 Sb2'
_cell_volume   181.76
_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  0.15  0.0  0.12  1.0
  In  In1  2  0.3  0.0  0.27  1.0
  Sb  Sb2  2  0.4  0.0  0.37  1.0

Ba In Sb
Ba In Sb 0 1 o o o 1 2 o o o 