data_Sr2LaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88
_cell_length_b   8.88
_cell_length_c   8.88
_cell_angle_alpha   154.51
_cell_angle_beta   148.51
_cell_angle_gamma   40.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaSi
_chemical_formula_sum   'Sr2 La1 Si1'
_cell_volume   157.08
_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  Sr2  1  0.96  0.0  0.71  1.0
  Sr  Sr3  1  0.0  0.41  0.61  1.0
  La  La0  1  0.0  0.0  0.32  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_Sr2LaSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.82
_cell_length_c   8.88
_cell_angle_alpha   105.75
_cell_angle_beta   102.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaSi
_chemical_formula_sum   'Sr2 La1 Si1'
_cell_volume   157.08
_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  0.25  0.29  0.25  1.0
  Sr  Sr1  1  0.39  0.8  0.8  1.0
  La  La2  1  0.68  0.68  0.68  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Sr Sr La Si
Sr Sr La Si 0 3 + o + 1 2 o o o 1 3 o o o 1 3 o + + 2 3 o o o 