data_LaScAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   133.39
_cell_angle_beta   133.39
_cell_angle_gamma   68.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScAl2
_chemical_formula_sum   'La1 Sc1 Al2'
_cell_volume   93.43
_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  0.23  0.0  0.34  1.0
  Sc  Sc3  1  0.0  0.0  0.68  1.0
  Al  Al0  1  0.0  0.23  0.34  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0

data_LaScAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   5.65
_cell_angle_alpha   113.31
_cell_angle_beta   113.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScAl2
_chemical_formula_sum   'La1 Sc1 Al2'
_cell_volume   93.43
_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  La0  1  0.66  0.0  0.89  1.0
  Sc  Sc1  1  0.32  0.0  0.32  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Al  Al3  1  0.89  0.23  0.89  1.0

La Sc Al Al