data_SrLi2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.53
_cell_length_b   9.53
_cell_length_c   9.53
_cell_angle_alpha   19.31
_cell_angle_beta   19.31
_cell_angle_gamma   19.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Fe
_chemical_formula_sum   'Sr1 Li2 Fe1'
_cell_volume   82.66
_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  0.02  1.0
  Li  Li1  1  0.0  0.0  0.47  1.0
  Li  Li2  1  0.0  0.0  0.57  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_SrLi2Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   3.2
_cell_length_c   9.53
_cell_angle_alpha   90.0
_cell_angle_beta   101.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrLi2Fe
_chemical_formula_sum   'Sr2 Li4 Fe2'
_cell_volume   165.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.98  1.0
  Li  Li1  2  0.0  0.0  0.43  1.0
  Li  Li2  2  0.0  0.0  0.53  1.0
  Fe  Fe3  2  0.0  0.0  0.0  1.0

Sr Li Li Fe