data_SrLaAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   145.17
_cell_angle_beta   131.77
_cell_angle_gamma   60.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaAl2
_chemical_formula_sum   'Sr1 La1 Al2'
_cell_volume   113.32
_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  0.0  0.0  0.01  1.0
  La  La2  1  0.0  0.64  0.37  1.0
  Al  Al0  1  0.0  0.64  0.45  1.0
  Al  Al1  1  0.0  0.0  0.86  1.0

data_SrLaAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   5.27
_cell_length_c   6.45
_cell_angle_alpha   114.12
_cell_angle_beta   107.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaAl2
_chemical_formula_sum   'Sr1 La1 Al2'
_cell_volume   113.32
_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  0.01  0.01  1.0
  La  La1  1  0.36  0.73  0.73  1.0
  Al  Al2  1  0.0  0.86  0.86  1.0
  Al  Al3  1  0.36  0.81  0.81  1.0

Sr La Al Al
Sr La Al Al 0 3 o o - 1 2 o o o 