data_LiAlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56
_cell_length_b   4.07
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   98.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlFe2
_chemical_formula_sum   'Li1 Al1 Fe2'
_cell_volume   49.37
_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  Li3  1  0.89  0.0  0.28  1.0
  Al  Al0  1  0.21  0.04  0.62  1.0
  Fe  Fe1  1  0.42  0.0  0.01  1.0
  Fe  Fe2  1  0.81  0.04  0.2  1.0

data_LiAlFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   4.07
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   98.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlFe2
_chemical_formula_sum   'Li1 Al1 Fe2'
_cell_volume   49.37
_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  0.89  0.0  0.28  1.0
  Al  Al1  1  0.21  0.04  0.62  1.0
  Fe  Fe2  1  0.42  0.0  0.01  1.0
  Fe  Fe3  1  0.81  0.04  0.2  1.0

Li Al Fe Fe