data_Sr2AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   143.84
_cell_angle_beta   131.71
_cell_angle_gamma   61.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlFe
_chemical_formula_sum   'Sr2 Al1 Fe1'
_cell_volume   111.96
_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  0.0  0.0  0.68  1.0
  Sr  Sr3  1  0.97  0.0  0.93  1.0
  Al  Al0  1  0.0  0.0  0.18  1.0
  Fe  Fe1  1  0.0  0.6  0.04  1.0

data_Sr2AlFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   5.2
_cell_length_c   6.36
_cell_angle_alpha   114.14
_cell_angle_beta   108.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlFe
_chemical_formula_sum   'Sr2 Al1 Fe1'
_cell_volume   111.96
_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  0.04  0.07  0.04  1.0
  Sr  Sr1  1  0.32  0.32  0.32  1.0
  Al  Al2  1  0.82  0.82  0.82  1.0
  Fe  Fe3  1  0.96  0.56  0.56  1.0

Sr Sr Al Fe