data_BiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   8.23
_cell_angle_alpha   106.08
_cell_angle_beta   106.08
_cell_angle_gamma   30.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSb
_chemical_formula_sum   'Bi3 Sb3'
_cell_volume   177.62
_cell_formula_units_Z   3
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  0.67  0.0  0.81  1.0
  Bi  Bi1  1  0.78  0.0  0.68  1.0
  Bi  Bi2  1  0.35  0.0  0.22  1.0
  Sb  Sb3  1  0.69  0.0  0.29  1.0
  Sb  Sb4  1  0.27  0.0  0.86  1.0
  Sb  Sb5  1  0.1  0.0  0.36  1.0

data_BiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   6.67
_cell_length_c   8.23
_cell_angle_alpha   106.08
_cell_angle_beta   90.0
_cell_angle_gamma   105.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSb
_chemical_formula_sum   'Bi3 Sb3'
_cell_volume   177.62
_cell_formula_units_Z   3
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  0.0  0.22  0.32  1.0
  Bi  Bi1  1  0.0  0.33  0.19  1.0
  Bi  Bi2  1  0.0  0.65  0.78  1.0
  Sb  Sb3  1  0.0  0.31  0.71  1.0
  Sb  Sb4  1  0.0  0.73  0.14  1.0
  Sb  Sb5  1  0.0  0.9  0.64  1.0

Bi Bi Bi Sb Sb Sb