data_FeBi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.52
_cell_length_c   7.99
_cell_angle_alpha   90.0
_cell_angle_beta   102.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBi2Sb
_chemical_formula_sum   'Fe1 Bi2 Sb1'
_cell_volume   101.95
_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
  Fe  Fe2  1  0.3  0.0  0.3  1.0
  Bi  Bi0  1  0.26  0.0  0.45  1.0
  Bi  Bi1  1  0.26  0.76  0.39  1.0
  Sb  Sb3  1  0.15  0.76  0.57  1.0

data_FeBi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.71
_cell_length_c   7.99
_cell_angle_alpha   102.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBi2Sb
_chemical_formula_sum   'Fe1 Bi2 Sb1'
_cell_volume   101.95
_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
  Fe  Fe0  1  0.0  0.7  0.7  1.0
  Bi  Bi1  1  0.0  0.74  0.55  1.0
  Bi  Bi2  1  0.24  0.74  0.61  1.0
  Sb  Sb3  1  0.24  0.85  0.43  1.0

Fe Bi Bi Sb
Fe Bi Bi Sb 0 2 o - o 0 1 o o o 1 2 o - o 1 3 o - o 2 3 o o o 