data_Sc6B7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.02
_cell_length_b   8.02
_cell_length_c   8.02
_cell_angle_alpha   37.05
_cell_angle_beta   37.05
_cell_angle_gamma   37.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6B7
_chemical_formula_sum   'Sc6 B7'
_cell_volume   167.54
_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  Sc7  1  0.0  0.0  0.64  1.0
  Sc  Sc8  1  0.0  0.0  0.73  1.0
  Sc  Sc9  1  0.0  0.0  0.25  1.0
  Sc  Sc10  1  0.0  0.0  0.12  1.0
  Sc  Sc11  1  0.0  0.0  0.35  1.0
  Sc  Sc12  1  0.0  0.0  0.02  1.0
  B  B0  1  0.32  0.97  0.78  1.0
  B  B1  1  0.0  0.06  0.78  1.0
  B  B2  1  0.68  0.97  0.78  1.0
  B  B3  1  0.68  0.03  0.59  1.0
  B  B4  1  0.32  0.03  0.59  1.0
  B  B5  1  0.0  0.94  0.59  1.0
  B  B6  1  0.0  0.0  0.0  1.0

data_Sc6B7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   8.02
_cell_angle_alpha   71.47
_cell_angle_beta   71.47
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6B7
_chemical_formula_sum   'Sc6 B7'
_cell_volume   167.54
_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  Sc0  1  0.0  0.27  0.73  1.0
  Sc  Sc1  1  0.0  0.36  0.64  1.0
  Sc  Sc2  1  0.0  0.65  0.35  1.0
  Sc  Sc3  1  0.0  0.75  0.25  1.0
  Sc  Sc4  1  0.0  0.88  0.12  1.0
  Sc  Sc5  1  0.0  0.98  0.02  1.0
  B  B6  1  0.0  0.0  0.0  1.0
  B  B7  1  0.03  0.22  0.07  1.0
  B  B8  1  0.03  0.22  0.43  1.0
  B  B9  1  0.06  0.41  0.53  1.0
  B  B10  1  0.94  0.22  0.84  1.0
  B  B11  1  0.97  0.41  0.3  1.0
  B  B12  1  0.97  0.41  0.94  1.0

Sc Sc Sc Sc Sc Sc B B B B B B B