data_BiB2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   3.53
_cell_angle_alpha   99.44
_cell_angle_beta   99.44
_cell_angle_gamma   30.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiB2Sb
_chemical_formula_sum   'Bi1 B2 Sb1'
_cell_volume   78.78
_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
  Bi  Bi2  1  0.13  0.0  0.94  1.0
  B  B0  1  0.58  0.0  0.31  1.0
  B  B1  1  0.71  0.0  0.33  1.0
  Sb  Sb3  1  0.89  0.0  0.64  1.0

data_BiB2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   6.65
_cell_angle_alpha   105.42
_cell_angle_beta   99.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiB2Sb
_chemical_formula_sum   'Bi1 B2 Sb1'
_cell_volume   78.78
_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
  Bi  Bi0  1  0.06  0.0  0.87  1.0
  B  B1  1  0.67  0.0  0.29  1.0
  B  B2  1  0.69  0.0  0.42  1.0
  Sb  Sb3  1  0.36  0.0  0.11  1.0

Bi B B Sb