data_BaBi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   140.22
_cell_angle_beta   129.69
_cell_angle_gamma   65.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBi2Sb
_chemical_formula_sum   'Ba1 Bi2 Sb1'
_cell_volume   137.24
_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  0.79  0.73  1.0
  Bi  Bi1  1  0.0  0.0  0.2  1.0
  Bi  Bi2  1  0.23  0.0  0.79  1.0
  Sb  Sb3  1  0.0  0.0  0.29  1.0

data_BaBi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   5.58
_cell_length_c   6.56
_cell_angle_alpha   115.15
_cell_angle_beta   109.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBi2Sb
_chemical_formula_sum   'Ba1 Bi2 Sb1'
_cell_volume   137.24
_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  0.21  0.94  0.94  1.0
  Bi  Bi1  1  0.0  0.2  0.2  1.0
  Bi  Bi2  1  0.0  0.79  0.56  1.0
  Sb  Sb3  1  0.0  0.29  0.29  1.0

Ba Bi Bi Sb