data_Sr2AlSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   7.29
_cell_angle_alpha   100.02
_cell_angle_beta   100.02
_cell_angle_gamma   43.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlSi
_chemical_formula_sum   'Sr2 Al1 Si1'
_cell_volume   130.61
_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  0.94  0.0  0.93  1.0
  Sr  Sr3  1  0.31  0.0  0.23  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.12  0.0  0.58  1.0

data_Sr2AlSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   5.17
_cell_length_c   7.29
_cell_angle_alpha   100.02
_cell_angle_beta   90.0
_cell_angle_gamma   111.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlSi
_chemical_formula_sum   'Sr2 Al1 Si1'
_cell_volume   130.61
_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  0.06  0.07  1.0
  Sr  Sr1  1  0.0  0.69  0.77  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.0  0.88  0.42  1.0

Sr Sr Al Si