# generated using pymatgen
data_Li2Fe5F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.05194647
_cell_length_b   13.05194647
_cell_length_c   14.96175300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.52846091
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe5F17
_chemical_formula_sum   'Li8 Fe20 F68'
_cell_volume   1405.71227599
_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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Li  Li2  1  0.69407300  0.30592700  0.75000000  1
  Li  Li3  1  0.74960000  0.25040000  0.55584000  1
  Li  Li4  1  0.74960000  0.25040000  0.94416000  1
  Li  Li5  1  0.30592700  0.69407300  0.25000000  1
  Li  Li6  1  0.25040000  0.74960000  0.44416000  1
  Li  Li7  1  0.25040000  0.74960000  0.05584000  1
  Fe  Fe8  1  0.88277200  0.61978100  0.12430000  1
  Fe  Fe9  1  0.88277200  0.61978100  0.37570000  1
  Fe  Fe10  1  0.75002500  0.74509000  0.25000000  1
  Fe  Fe11  1  0.87436300  0.62369400  0.88027300  1
  Fe  Fe12  1  0.87436300  0.62369400  0.61972700  1
  Fe  Fe13  1  0.37630600  0.12563700  0.61972700  1
  Fe  Fe14  1  0.37630600  0.12563700  0.88027300  1
  Fe  Fe15  1  0.61978100  0.88277200  0.62430000  1
  Fe  Fe16  1  0.61978100  0.88277200  0.87570000  1
  Fe  Fe17  1  0.25491000  0.24997500  0.25000000  1
  Fe  Fe18  1  0.74509000  0.75002500  0.75000000  1
  Fe  Fe19  1  0.38021900  0.11722800  0.37570000  1
  Fe  Fe20  1  0.38021900  0.11722800  0.12430000  1
  Fe  Fe21  1  0.62369400  0.87436300  0.38027300  1
  Fe  Fe22  1  0.62369400  0.87436300  0.11972700  1
  Fe  Fe23  1  0.12563700  0.37630600  0.38027300  1
  Fe  Fe24  1  0.12563700  0.37630600  0.11972700  1
  Fe  Fe25  1  0.24997500  0.25491000  0.75000000  1
  Fe  Fe26  1  0.11722800  0.38021900  0.62430000  1
  Fe  Fe27  1  0.11722800  0.38021900  0.87570000  1
  F  F28  1  0.01422200  0.61400600  0.08941900  1
  F  F29  1  0.01422200  0.61400600  0.41058100  1
  F  F30  1  0.85725400  0.75649900  0.84396900  1
  F  F31  1  0.85725400  0.75649900  0.65603100  1
  F  F32  1  0.90148800  0.70146300  0.49817000  1
  F  F33  1  0.90148800  0.70146300  0.00183000  1
  F  F34  1  0.75413000  0.64522600  0.15635400  1
  F  F35  1  0.75413000  0.64522600  0.34364600  1
  F  F36  1  0.87220400  0.48211400  0.90495300  1
  F  F37  1  0.87220400  0.48211400  0.59504700  1
  F  F38  1  0.85563500  0.55442400  0.25000000  1
  F  F39  1  0.83922500  0.55001900  0.75000000  1
  F  F40  1  0.60084900  0.39915100  0.60942300  1
  F  F41  1  0.88603600  0.11396400  0.84803800  1
  F  F42  1  0.64169400  0.35830600  0.40876500  1
  F  F43  1  0.97841400  0.02158600  0.75000000  1
  F  F44  1  0.85483800  0.14516200  0.36048500  1
  F  F45  1  0.88603600  0.11396400  0.65196200  1
  F  F46  1  0.52160700  0.47839300  0.75000000  1
  F  F47  1  0.85483800  0.14516200  0.13951500  1
  F  F48  1  0.60084900  0.39915100  0.89057700  1
  F  F49  1  0.64169400  0.35830600  0.09123500  1
  F  F50  1  0.61400600  0.01422200  0.91058100  1
  F  F51  1  0.61400600  0.01422200  0.58941900  1
  F  F52  1  0.44998100  0.16077500  0.75000000  1
  F  F53  1  0.75649900  0.85725400  0.34396900  1
  F  F54  1  0.75649900  0.85725400  0.15603100  1
  F  F55  1  0.44557600  0.14436500  0.25000000  1
  F  F56  1  0.51788600  0.12779600  0.90495300  1
  F  F57  1  0.51788600  0.12779600  0.59504700  1
  F  F58  1  0.70146300  0.90148800  0.99817000  1
  F  F59  1  0.70146300  0.90148800  0.50183000  1
  F  F60  1  0.35477400  0.24587000  0.15635400  1
  F  F61  1  0.35477400  0.24587000  0.34364600  1
  F  F62  1  0.64522600  0.75413000  0.84364600  1
  F  F63  1  0.64522600  0.75413000  0.65635400  1
  F  F64  1  0.29853700  0.09851200  0.49817000  1
  F  F65  1  0.29853700  0.09851200  0.00183000  1
  F  F66  1  0.48211400  0.87220400  0.40495300  1
  F  F67  1  0.48211400  0.87220400  0.09504700  1
  F  F68  1  0.55442400  0.85563500  0.75000000  1
  F  F69  1  0.24350100  0.14274600  0.84396900  1
  F  F70  1  0.24350100  0.14274600  0.65603100  1
  F  F71  1  0.55001900  0.83922500  0.25000000  1
  F  F72  1  0.38599400  0.98577800  0.41058100  1
  F  F73  1  0.38599400  0.98577800  0.08941900  1
  F  F74  1  0.11396400  0.88603600  0.34803800  1
  F  F75  1  0.47839300  0.52160700  0.25000000  1
  F  F76  1  0.02158600  0.97841400  0.25000000  1
  F  F77  1  0.39915100  0.60084900  0.39057700  1
  F  F78  1  0.39915100  0.60084900  0.10942300  1
  F  F79  1  0.35830600  0.64169400  0.59123500  1
  F  F80  1  0.35830600  0.64169400  0.90876500  1
  F  F81  1  0.11396400  0.88603600  0.15196200  1
  F  F82  1  0.14516200  0.85483800  0.63951500  1
  F  F83  1  0.14516200  0.85483800  0.86048500  1
  F  F84  1  0.16077500  0.44998100  0.25000000  1
  F  F85  1  0.14436500  0.44557600  0.75000000  1
  F  F86  1  0.12779600  0.51788600  0.40495300  1
  F  F87  1  0.12779600  0.51788600  0.09504700  1
  F  F88  1  0.24587000  0.35477400  0.65635400  1
  F  F89  1  0.24587000  0.35477400  0.84364600  1
  F  F90  1  0.09851200  0.29853700  0.50183000  1
  F  F91  1  0.09851200  0.29853700  0.99817000  1
  F  F92  1  0.14274600  0.24350100  0.34396900  1
  F  F93  1  0.14274600  0.24350100  0.15603100  1
  F  F94  1  0.98577800  0.38599400  0.58941900  1
  F  F95  1  0.98577800  0.38599400  0.91058100  1
