data_BiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.84
_cell_length_b   11.84
_cell_length_c   11.84
_cell_angle_alpha   160.47
_cell_angle_beta   160.47
_cell_angle_gamma   27.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSb2
_chemical_formula_sum   'Bi2 Sb4'
_cell_volume   185.61
_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  0.01  0.75  1.0
  Bi  Bi1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.01  0.0  0.5  1.0
  Sb  Sb3  1  0.0  0.0  0.75  1.0
  Sb  Sb4  1  0.01  0.0  0.0  1.0
  Sb  Sb5  1  0.0  0.0  0.25  1.0

data_BiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   11.84
_cell_angle_alpha   99.77
_cell_angle_beta   99.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSb2
_chemical_formula_sum   'Bi2 Sb4'
_cell_volume   185.61
_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  0.26  0.01  0.26  1.0
  Sb  Sb2  1  0.25  0.0  0.25  1.0
  Sb  Sb3  1  0.5  0.0  0.51  1.0
  Sb  Sb4  1  0.75  0.0  0.75  1.0
  Sb  Sb5  1  1.0  0.0  0.01  1.0

Bi Bi Sb Sb Sb Sb