# generated using pymatgen
data_LiFe2(ClO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43977500
_cell_length_b   3.99361600
_cell_length_c   8.44582400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(ClO)2
_chemical_formula_sum   'Li1 Fe2 Cl2 O2'
_cell_volume   116.02147073
_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  0.00000000  0.50000000  0.45912700  1
  Fe  Fe1  1  0.50000000  0.00000000  0.06556400  1
  Fe  Fe2  1  0.00000000  0.50000000  0.88568500  1
  Cl  Cl3  1  0.00000000  0.00000000  0.30582300  1
  Cl  Cl4  1  0.50000000  0.50000000  0.65257600  1
  O  O5  1  0.00000000  0.00000000  0.94261300  1
  O  O6  1  0.50000000  0.50000000  0.04860900  1
