# generated using pymatgen
data_LiFe2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93566454
_cell_length_b   7.26203772
_cell_length_c   12.49975735
_cell_angle_alpha   85.60504579
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2F7
_chemical_formula_sum   'Li4 Fe8 F28'
_cell_volume   446.71115272
_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  0.24776245  0.18051335  0.08542186  1
  Li  Li1  1  0.25223755  0.68051335  0.08542186  1
  Li  Li2  1  0.74776245  0.31948665  0.91457814  1
  Li  Li3  1  0.75223755  0.81948665  0.91457814  1
  Fe  Fe4  1  0.75480736  0.36456073  0.17917149  1
  Fe  Fe5  1  0.74519264  0.86456073  0.17917149  1
  Fe  Fe6  1  0.24960796  0.28052402  0.39258806  1
  Fe  Fe7  1  0.25039204  0.78052402  0.39258806  1
  Fe  Fe8  1  0.74960796  0.21947598  0.60741194  1
  Fe  Fe9  1  0.75039204  0.71947598  0.60741194  1
  Fe  Fe10  1  0.25480736  0.13543927  0.82082851  1
  Fe  Fe11  1  0.24519264  0.63543927  0.82082851  1
  F  F12  1  0.07674562  0.44294416  0.11167229  1
  F  F13  1  0.57765416  0.31460007  0.05074078  1
  F  F14  1  0.91259812  0.10768911  0.17704030  1
  F  F15  1  0.42325438  0.94294416  0.11167229  1
  F  F16  1  0.92234584  0.81460007  0.05074078  1
  F  F17  1  0.58740188  0.60768911  0.17704030  1
  F  F18  1  0.92666692  0.37323261  0.31898371  1
  F  F19  1  0.43310786  0.25371439  0.25602294  1
  F  F20  1  0.57333308  0.87323261  0.31898371  1
  F  F21  1  0.06689214  0.75371439  0.25602294  1
  F  F22  1  0.38558070  0.53080749  0.39145634  1
  F  F23  1  0.11441930  0.03080749  0.39145634  1
  F  F24  1  0.56617825  0.19220028  0.47194516  1
  F  F25  1  0.06617825  0.30779972  0.52805484  1
  F  F26  1  0.93382175  0.69220028  0.47194516  1
  F  F27  1  0.43382175  0.80779972  0.52805484  1
  F  F28  1  0.88558070  0.96919251  0.60854366  1
  F  F29  1  0.61441930  0.46919251  0.60854366  1
  F  F30  1  0.93310786  0.24628561  0.74397706  1
  F  F31  1  0.42666692  0.12676739  0.68101629  1
  F  F32  1  0.56689214  0.74628561  0.74397706  1
  F  F33  1  0.07333308  0.62676739  0.68101629  1
  F  F34  1  0.41259812  0.39231089  0.82295970  1
  F  F35  1  0.07765416  0.18539993  0.94925922  1
  F  F36  1  0.57674562  0.05705584  0.88832771  1
  F  F37  1  0.08740188  0.89231089  0.82295970  1
  F  F38  1  0.42234584  0.68539993  0.94925922  1
  F  F39  1  0.92325438  0.55705584  0.88832771  1
