data_LaScAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.9
_cell_length_b   9.9
_cell_length_c   9.9
_cell_angle_alpha   19.77
_cell_angle_beta   19.77
_cell_angle_gamma   19.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScAl2
_chemical_formula_sum   'La1 Sc1 Al2'
_cell_volume   97.11
_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
  La  La2  1  0.0  0.0  0.56  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.63  1.0
  Al  Al1  1  0.0  0.0  0.48  1.0

data_LaScAl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   3.4
_cell_length_c   9.9
_cell_angle_alpha   90.0
_cell_angle_beta   101.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaScAl2
_chemical_formula_sum   'La2 Sc2 Al4'
_cell_volume   194.22
_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
  La  La0  2  -0.0  0.0  0.44  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  Al  Al2  2  -0.0  0.0  0.52  1.0
  Al  Al3  2  -0.0  0.0  0.37  1.0

La Sc Al Al