data_SrLi2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   138.55
_cell_angle_beta   125.78
_cell_angle_gamma   70.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Fe
_chemical_formula_sum   'Sr1 Li2 Fe1'
_cell_volume   85.88
_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  0.49  0.07  1.0
  Li  Li1  1  0.0  0.49  0.33  1.0
  Li  Li2  1  0.0  0.0  0.04  1.0
  Fe  Fe0  1  0.0  0.0  0.94  1.0

data_SrLi2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.98
_cell_length_c   5.46
_cell_angle_alpha   117.11
_cell_angle_beta   110.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Fe
_chemical_formula_sum   'Sr1 Li2 Fe1'
_cell_volume   85.88
_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  0.93  0.42  0.42  1.0
  Li  Li1  1  0.67  0.16  0.16  1.0
  Li  Li2  1  0.96  0.96  0.96  1.0
  Fe  Fe3  1  0.06  0.06  0.06  1.0

Sr Li Li Fe
Sr Li Li Fe 0 1 o o o 1 3 o o - 2 3 o o - 