data_LiFe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   131.18
_cell_angle_beta   131.18
_cell_angle_gamma   71.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2Sn
_chemical_formula_sum   'Li1 Fe2 Sn1'
_cell_volume   57.94
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.82  1.0
  Fe  Fe1  1  0.0  0.95  0.91  1.0
  Sn  Sn3  1  0.95  0.0  0.91  1.0

data_LiFe2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   4.71
_cell_angle_alpha   114.41
_cell_angle_beta   114.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2Sn
_chemical_formula_sum   'Li1 Fe2 Sn1'
_cell_volume   57.94
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.82  0.82  0.82  1.0
  Fe  Fe2  1  0.96  0.91  0.96  1.0
  Sn  Sn3  1  0.91  0.96  0.96  1.0

Li Fe Fe Sn