# generated using pymatgen
data_LiFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.37615600
_cell_length_b   4.68073289
_cell_length_c   4.56014300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.70385781
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe
_chemical_formula_sum   'Li2 Fe2'
_cell_volume   49.05760102
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.00000000  1.0
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe2  1  0.25664300  0.51328500  0.25000000  1.0
  Fe  Fe3  1  0.74335700  0.48671400  0.75000000  1.0