data_SrSc2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   5.13
_cell_angle_alpha   113.28
_cell_angle_beta   113.28
_cell_angle_gamma   34.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Al
_chemical_formula_sum   'Sr1 Sc2 Al1'
_cell_volume   107.46
_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
  Sr  Sr3  1  0.79  0.0  0.19  1.0
  Sc  Sc1  1  0.4  0.0  0.15  1.0
  Sc  Sc2  1  0.54  0.0  0.56  1.0
  Al  Al0  1  0.45  0.0  0.12  1.0

data_SrSc2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   5.13
_cell_length_c   6.4
_cell_angle_alpha   113.28
_cell_angle_beta   107.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Al
_chemical_formula_sum   'Sr1 Sc2 Al1'
_cell_volume   107.46
_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
  Sr  Sr0  1  0.0  0.19  0.79  1.0
  Sc  Sc1  1  0.0  0.15  0.4  1.0
  Sc  Sc2  1  0.0  0.56  0.54  1.0
  Al  Al3  1  0.0  0.12  0.45  1.0

Sr Sc Sc Al