data_ScBi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.15
_cell_length_b   11.15
_cell_length_c   11.15
_cell_angle_alpha   17.74
_cell_angle_beta   17.74
_cell_angle_gamma   17.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBi2Sb
_chemical_formula_sum   'Sc1 Bi2 Sb1'
_cell_volume   112.36
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.49  1.0
  Bi  Bi1  1  0.0  0.0  0.43  1.0
  Sb  Sb2  1  0.0  0.0  0.46  1.0

data_ScBi2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   3.44
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   100.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScBi2Sb
_chemical_formula_sum   'Sc2 Bi4 Sb2'
_cell_volume   224.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.0  0.0  0.51  1.0
  Bi  Bi2  2  0.0  0.0  0.57  1.0
  Sb  Sb3  2  0.0  0.0  0.54  1.0

Sc Bi Bi Sb
Sc Bi Bi Sb 0 0 o + - 0 0 + - o 0 0 + o - 1 3 o o o 2 3 o o o 