data_Sr2LiFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.65
_cell_angle_alpha   146.94
_cell_angle_beta   131.71
_cell_angle_gamma   59.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LiFe
_chemical_formula_sum   'Sr2 Li1 Fe1'
_cell_volume   118.75
_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  0.72  0.66  1.0
  Sr  Sr3  1  0.0  0.0  0.32  1.0
  Li  Li1  1  0.0  0.0  0.98  1.0
  Fe  Fe0  1  0.0  0.72  0.34  1.0

data_Sr2LiFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   5.44
_cell_length_c   6.65
_cell_angle_alpha   114.14
_cell_angle_beta   106.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LiFe
_chemical_formula_sum   'Sr2 Li1 Fe1'
_cell_volume   118.75
_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  0.32  0.32  1.0
  Sr  Sr1  1  0.28  0.94  0.94  1.0
  Li  Li2  1  0.0  0.98  0.98  1.0
  Fe  Fe3  1  0.28  0.62  0.62  1.0

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