data_YScAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.13
_cell_length_b   10.13
_cell_length_c   10.13
_cell_angle_alpha   18.4
_cell_angle_beta   18.4
_cell_angle_gamma   18.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScAl2
_chemical_formula_sum   'Y1 Sc1 Al2'
_cell_volume   90.52
_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
  Y  Y3  1  0.0  0.0  0.32  1.0
  Sc  Sc2  1  0.0  0.0  0.13  1.0
  Al  Al0  1  0.0  0.0  0.64  1.0
  Al  Al1  1  0.0  0.0  0.59  1.0

data_YScAl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.61
_cell_length_b   3.24
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   100.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YScAl2
_chemical_formula_sum   'Y2 Sc2 Al4'
_cell_volume   181.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.0  0.0  0.68  1.0
  Sc  Sc1  2  0.0  0.0  0.87  1.0
  Al  Al2  2  0.0  0.0  0.36  1.0
  Al  Al3  2  0.0  0.0  0.41  1.0

Y Sc Al Al