data_ScSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSb3
_chemical_formula_sum   'Sc2 Sb6'
_cell_volume   206.84
_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
  Sc  Sc0  1  0.25  0.87  0.25  1.0
  Sc  Sc1  1  0.0  0.75  0.42  1.0
  Sb  Sb2  1  0.72  0.99  0.42  1.0
  Sb  Sb3  1  0.78  0.99  0.42  1.0
  Sb  Sb4  1  0.25  0.64  0.42  1.0
  Sb  Sb5  1  0.53  0.63  0.25  1.0
  Sb  Sb6  1  0.47  0.63  0.25  1.0
  Sb  Sb7  1  0.0  0.98  0.25  1.0

data_ScSb3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.66
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ScSb3
_chemical_formula_sum   'Sc2 Sb6'
_cell_volume   206.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Sc0  2  0.08  0.88  0.44  1.0
  Sb  Sb1  2  0.08  0.12  0.33  1.0
  Sb  Sb2  2  0.08  0.59  0.68  1.0
  Sb  Sb3  2  0.08  0.65  0.68  1.0

Sc Sc Sb Sb Sb Sb Sb Sb