data_LaSc2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   131.76
_cell_angle_beta   131.76
_cell_angle_gamma   70.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Al
_chemical_formula_sum   'La1 Sc2 Al1'
_cell_volume   98.87
_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  La1  1  0.31  0.0  0.31  1.0
  Sc  Sc2  1  0.0  0.0  0.62  1.0
  Sc  Sc3  1  0.0  0.31  0.31  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_LaSc2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.66
_cell_angle_alpha   114.12
_cell_angle_beta   114.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Al
_chemical_formula_sum   'La1 Sc2 Al1'
_cell_volume   98.87
_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  0.69  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.31  0.0  1.0
  Sc  Sc2  1  0.38  0.0  0.38  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

La Sc Sc Al