data_Sc3Al2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75
_cell_length_b   5.82
_cell_length_c   8.81
_cell_angle_alpha   59.97
_cell_angle_beta   40.55
_cell_angle_gamma   79.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Al2
_chemical_formula_sum   'Sc6 Al4'
_cell_volume   209.5
_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  Sc4  1  0.6  0.64  0.36  1.0
  Sc  Sc5  1  0.54  0.76  0.36  1.0
  Sc  Sc6  1  0.13  0.37  0.79  1.0
  Sc  Sc7  1  0.07  0.24  0.79  1.0
  Sc  Sc8  1  0.07  0.2  0.47  1.0
  Sc  Sc9  1  0.53  0.6  0.91  1.0
  Al  Al0  1  0.35  0.85  0.15  1.0
  Al  Al1  1  0.79  0.56  0.15  1.0
  Al  Al2  1  0.81  0.95  0.58  1.0
  Al  Al3  1  0.32  0.45  0.58  1.0

data_Sc3Al2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.74
_cell_length_b   5.82
_cell_length_c   7.75
_cell_angle_alpha   79.48
_cell_angle_beta   68.27
_cell_angle_gamma   60.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Al2
_chemical_formula_sum   'Sc6 Al4'
_cell_volume   209.5
_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  0.4  1.0  0.95  1.0
  Sc  Sc1  1  0.46  0.88  0.89  1.0
  Sc  Sc2  1  0.47  0.49  0.44  1.0
  Sc  Sc3  1  0.87  0.84  0.92  1.0
  Sc  Sc4  1  0.93  0.96  0.86  1.0
  Sc  Sc5  1  0.93  0.32  0.54  1.0
  Al  Al6  1  0.19  0.46  0.39  1.0
  Al  Al7  1  0.21  0.3  0.93  1.0
  Al  Al8  1  0.65  0.0  0.49  1.0
  Al  Al9  1  0.68  0.97  0.9  1.0

Sc Sc Sc Sc Sc Sc Al Al Al Al