# generated using pymatgen
data_Li5NiOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49501522
_cell_length_b   15.57694599
_cell_length_c   6.34044759
_cell_angle_alpha   95.84844422
_cell_angle_beta   89.99994396
_cell_angle_gamma   100.09522666
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5NiOF5
_chemical_formula_sum   'Li20 Ni4 O4 F20'
_cell_volume   531.44218820
_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  0.50251800  0.33829900  0.58473000  1
  Li  Li1  1  0.00252200  0.33831000  0.33450100  1
  Li  Li2  1  0.50249500  0.33829000  0.08474700  1
  Li  Li3  1  0.00251900  0.33830900  0.83450600  1
  Li  Li4  1  0.66444900  0.66208200  0.66558100  1
  Li  Li5  1  0.16435200  0.66210900  0.41535500  1
  Li  Li6  1  0.66449100  0.66207800  0.16548400  1
  Li  Li7  1  0.16445200  0.66212800  0.91545000  1
  Li  Li8  1  0.91649100  0.50014600  0.62498800  1
  Li  Li9  1  0.41648800  0.50015000  0.37500400  1
  Li  Li10  1  0.91648100  0.50014200  0.12497400  1
  Li  Li11  1  0.41647400  0.50014000  0.87500500  1
  Li  Li12  1  0.75551200  0.17674100  0.54363700  1
  Li  Li13  1  0.25567800  0.17671800  0.29461700  1
  Li  Li14  1  0.75564400  0.17672700  0.04340500  1
  Li  Li15  1  0.25547200  0.17672500  0.79446500  1
  Li  Li16  1  0.07914500  0.82489600  0.70545700  1
  Li  Li17  1  0.57900300  0.82478900  0.45710800  1
  Li  Li18  1  0.07906000  0.82519700  0.20524700  1
  Li  Li19  1  0.57922100  0.82507700  0.95743400  1
  Ni  Ni20  1  0.82814500  0.99149200  0.75257900  1
  Ni  Ni21  1  0.32782100  0.99155600  0.49337500  1
  Ni  Ni22  1  0.82779600  0.99166000  0.25290800  1
  Ni  Ni23  1  0.32813200  0.99169700  0.99316000  1
  O  O24  1  0.14382400  0.95547800  0.73516000  1
  O  O25  1  0.64353800  0.95546200  0.49286200  1
  O  O26  1  0.14429300  0.95599100  0.23533700  1
  O  O27  1  0.64439600  0.95587400  0.99276400  1
  F  F28  1  0.56445900  0.46234300  0.61553700  1
  F  F29  1  0.06446400  0.46235600  0.36551300  1
  F  F30  1  0.56444500  0.46234000  0.11554700  1
  F  F31  1  0.06444600  0.46233700  0.86550100  1
  F  F32  1  0.72665100  0.78626300  0.69732400  1
  F  F33  1  0.22642300  0.78630400  0.44577600  1
  F  F34  1  0.72671700  0.78623100  0.19721000  1
  F  F35  1  0.22668800  0.78630900  0.94598600  1
  F  F36  1  0.40423600  0.13996100  0.53548600  1
  F  F37  1  0.90417800  0.14002200  0.28444600  1
  F  F38  1  0.40429300  0.14007300  0.03536100  1
  F  F39  1  0.90416300  0.13987000  0.78427700  1
  F  F40  1  0.81703100  0.30059400  0.57495100  1
  F  F41  1  0.31699300  0.30059200  0.32529400  1
  F  F42  1  0.81704200  0.30060300  0.07492800  1
  F  F43  1  0.31698500  0.30057600  0.82524400  1
  F  F44  1  0.97883200  0.62427700  0.65601100  1
  F  F45  1  0.47881200  0.62430500  0.40611600  1
  F  F46  1  0.97880700  0.62424800  0.15598200  1
  F  F47  1  0.47878800  0.62426200  0.90610300  1
