# generated using pymatgen
data_LiCuSO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20905246
_cell_length_b   7.20905246
_cell_length_c   10.18917685
_cell_angle_alpha   66.38268386
_cell_angle_beta   66.38268386
_cell_angle_gamma   50.58993886
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuSO4F
_chemical_formula_sum   'Li4 Cu4 S4 O16 F4'
_cell_volume   366.77242672
_cell_formula_units_Z   4
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  0.21518900  0.69614600  0.49398300  1
  Li  Li1  1  0.30385400  0.78481100  0.00601700  1
  Li  Li2  1  0.78481100  0.30385400  0.50601700  1
  Li  Li3  1  0.69614600  0.21518900  0.99398300  1
  Cu  Cu4  1  0.74459200  0.54052100  0.16687500  1
  Cu  Cu5  1  0.45947900  0.25540800  0.33312500  1
  Cu  Cu6  1  0.25540800  0.45947900  0.83312500  1
  Cu  Cu7  1  0.54052100  0.74459200  0.66687500  1
  S  S8  1  0.91942800  0.73860800  0.29283100  1
  S  S9  1  0.26139200  0.08057200  0.20716900  1
  S  S10  1  0.08057200  0.26139200  0.70716900  1
  S  S11  1  0.73860800  0.91942800  0.79283100  1
  O  O12  1  0.83773500  0.58589300  0.30268800  1
  O  O13  1  0.41410700  0.16226500  0.19731200  1
  O  O14  1  0.16226500  0.41410700  0.69731200  1
  O  O15  1  0.58589300  0.83773500  0.80268800  1
  O  O16  1  0.14173200  0.57560000  0.35919800  1
  O  O17  1  0.42440000  0.85826800  0.14080200  1
  O  O18  1  0.85826800  0.42440000  0.64080200  1
  O  O19  1  0.57560000  0.14173200  0.85919800  1
  O  O20  1  0.08436100  0.27120400  0.10719200  1
  O  O21  1  0.72879600  0.91563900  0.39280800  1
  O  O22  1  0.91563900  0.72879600  0.89280800  1
  O  O23  1  0.27120400  0.08436100  0.60719200  1
  O  O24  1  0.96671700  0.86183800  0.14232400  1
  O  O25  1  0.13816200  0.03328300  0.35767600  1
  O  O26  1  0.03328300  0.13816200  0.85767600  1
  O  O27  1  0.86183800  0.96671700  0.64232400  1
  F  F28  1  0.61856900  0.43355500  0.10044800  1
  F  F29  1  0.56644500  0.38143100  0.39955200  1
  F  F30  1  0.38143100  0.56644500  0.89955200  1
  F  F31  1  0.43355500  0.61856900  0.60044800  1
