# generated using pymatgen
data_Li5NiOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21052088
_cell_length_b   30.37666686
_cell_length_c   5.48527977
_cell_angle_alpha   84.95605955
_cell_angle_beta   90.06145433
_cell_angle_gamma   92.98010366
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5NiOF5
_chemical_formula_sum   'Li20 Ni4 O4 F20'
_cell_volume   532.15599238
_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  0.33431800  0.66875200  0.33309000  1
  Li  Li1  1  0.58449500  0.16868700  0.08316900  1
  Li  Li2  1  0.83432300  0.66877400  0.83300300  1
  Li  Li3  1  0.08394200  0.16762500  0.58313300  1
  Li  Li4  1  0.41559800  0.83173300  0.25143800  1
  Li  Li5  1  0.66518900  0.33097300  0.00212900  1
  Li  Li6  1  0.91552500  0.83135900  0.75198900  1
  Li  Li7  1  0.16520900  0.33101200  0.50225500  1
  Li  Li8  1  0.87494500  0.75003700  0.45737300  1
  Li  Li9  1  0.12489700  0.24988400  0.20821300  1
  Li  Li10  1  0.37491200  0.74996300  0.95780400  1
  Li  Li11  1  0.62480700  0.24959400  0.70732200  1
  Li  Li12  1  0.79459100  0.58798400  0.53836600  1
  Li  Li13  1  0.04450400  0.08619100  0.28701700  1
  Li  Li14  1  0.29458400  0.58799000  0.03838000  1
  Li  Li15  1  0.54434300  0.08709100  0.78646200  1
  Li  Li16  1  0.95624700  0.91334700  0.37715200  1
  Li  Li17  1  0.20625000  0.41241100  0.12668900  1
  Li  Li18  1  0.45727300  0.91360500  0.87492300  1
  Li  Li19  1  0.70626900  0.41243000  0.62670800  1
  Ni  Ni20  1  0.74645900  0.49549300  0.92016400  1
  Ni  Ni21  1  0.99882800  0.99555300  0.67203600  1
  Ni  Ni22  1  0.49446100  0.99653300  0.17370100  1
  Ni  Ni23  1  0.24649400  0.49547900  0.42010700  1
  O  O24  1  0.98643000  0.97915100  0.34583800  1
  O  O25  1  0.23826200  0.47810800  0.09362300  1
  O  O26  1  0.49144000  0.97950000  0.84346500  1
  O  O27  1  0.73829200  0.47812000  0.59366700  1
  F  F28  1  0.36557700  0.73133500  0.30215300  1
  F  F29  1  0.61544700  0.23126100  0.05271500  1
  F  F30  1  0.86559600  0.73139000  0.80194900  1
  F  F31  1  0.11519900  0.23073400  0.55178600  1
  F  F32  1  0.44702700  0.89472900  0.22031500  1
  F  F33  1  0.69685900  0.39355300  0.97118900  1
  F  F34  1  0.94722800  0.89398500  0.72078600  1
  F  F35  1  0.19687300  0.39356300  0.47129400  1
  F  F36  1  0.28565900  0.57013500  0.38248000  1
  F  F37  1  0.53498800  0.06616600  0.13064200  1
  F  F38  1  0.78565100  0.57013300  0.88249700  1
  F  F39  1  0.03644900  0.07149500  0.62967000  1
  F  F40  1  0.82541500  0.65033300  0.50659200  1
  F  F41  1  0.07503100  0.14908500  0.25406100  1
  F  F42  1  0.32541300  0.65034700  0.00656100  1
  F  F43  1  0.57535900  0.14997200  0.75921500  1
  F  F44  1  0.90635700  0.81284800  0.42503800  1
  F  F45  1  0.15621400  0.31253200  0.17599600  1
  F  F46  1  0.40639700  0.81270100  0.92590000  1
  F  F47  1  0.65620700  0.31239000  0.67570700  1
