data_Ba2BiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   5.37
_cell_angle_alpha   100.9
_cell_angle_beta   100.9
_cell_angle_gamma   41.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BiSb
_chemical_formula_sum   'Ba2 Bi1 Sb1'
_cell_volume   167.31
_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  0.73  0.0  0.72  1.0
  Ba  Ba1  1  0.6  0.0  0.25  1.0
  Bi  Bi2  1  0.17  0.0  0.47  1.0
  Sb  Sb3  1  0.22  0.0  0.46  1.0

data_Ba2BiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   5.37
_cell_length_c   6.92
_cell_angle_alpha   100.9
_cell_angle_beta   110.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BiSb
_chemical_formula_sum   'Ba2 Bi1 Sb1'
_cell_volume   167.31
_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  0.25  0.6  1.0
  Ba  Ba1  1  0.0  0.72  0.73  1.0
  Bi  Bi2  1  0.0  0.47  0.17  1.0
  Sb  Sb3  1  0.0  0.46  0.22  1.0

Ba Ba Bi Sb