data_ScSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   20.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSb
_chemical_formula_sum   'Sc6 Sb6'
_cell_volume   413.78
_cell_formula_units_Z   6
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  Sc6  1  0.0  0.0  0.11  1.0
  Sc  Sc7  1  0.0  0.0  0.96  1.0
  Sc  Sc8  1  0.0  0.82  0.85  1.0
  Sc  Sc9  1  0.0  0.82  0.48  1.0
  Sc  Sc10  1  0.44  0.41  0.58  1.0
  Sc  Sc11  1  0.44  0.41  0.22  1.0
  Sb  Sb0  1  0.0  0.0  0.01  1.0
  Sb  Sb1  1  0.0  0.0  0.05  1.0
  Sb  Sb2  1  0.0  0.82  0.75  1.0
  Sb  Sb3  1  0.0  0.82  0.57  1.0
  Sb  Sb4  1  0.44  0.41  0.49  1.0
  Sb  Sb5  1  0.44  0.41  0.31  1.0

data_ScSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   20.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSb
_chemical_formula_sum   'Sc6 Sb6'
_cell_volume   413.78
_cell_formula_units_Z   6
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  0.0  0.0  0.11  1.0
  Sc  Sc1  1  0.0  0.0  0.96  1.0
  Sc  Sc2  1  0.0  0.82  0.48  1.0
  Sc  Sc3  1  0.0  0.82  0.85  1.0
  Sc  Sc4  1  0.44  0.41  0.22  1.0
  Sc  Sc5  1  0.44  0.41  0.58  1.0
  Sb  Sb6  1  0.0  0.0  0.01  1.0
  Sb  Sb7  1  0.0  0.0  0.05  1.0
  Sb  Sb8  1  0.0  0.82  0.57  1.0
  Sb  Sb9  1  0.0  0.82  0.75  1.0
  Sb  Sb10  1  0.44  0.41  0.31  1.0
  Sb  Sb11  1  0.44  0.41  0.49  1.0

Sc Sc Sc Sc Sc Sc Sb Sb Sb Sb Sb Sb