data_Bi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2Sb
_chemical_formula_sum   'Bi4 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'
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  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.34  1.0
  Bi  Bi2  1  0.8  0.62  0.67  1.0
  Bi  Bi3  1  0.0  0.24  0.01  1.0
  Sb  Sb4  1  0.0  0.24  0.67  1.0
  Sb  Sb5  1  0.8  0.62  0.01  1.0

data_Bi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2Sb
_chemical_formula_sum   'Bi4 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'
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  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.34  1.0
  Bi  Bi2  1  0.0  0.24  0.01  1.0
  Bi  Bi3  1  0.8  0.62  0.67  1.0
  Sb  Sb4  1  0.0  0.24  0.67  1.0
  Sb  Sb5  1  0.8  0.62  0.01  1.0

Bi Bi Bi Bi Sb Sb