# generated using pymatgen
data_Li3Ni(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01802961
_cell_length_b   7.75193230
_cell_length_c   7.75902372
_cell_angle_alpha   98.79355734
_cell_angle_beta   101.53227241
_cell_angle_gamma   101.49948608
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ni(OF)2
_chemical_formula_sum   'Li12 Ni4 O8 F8'
_cell_volume   283.89385430
_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  0.25724200  0.30513200  0.18759700  1
  Li  Li1  1  0.24376000  0.81211600  0.69590200  1
  Li  Li2  1  0.75655100  0.68816100  0.80461200  1
  Li  Li3  1  0.74299200  0.19492800  0.31271400  1
  Li  Li4  1  0.25049300  0.56840800  0.92997400  1
  Li  Li5  1  0.25081500  0.06977700  0.43303200  1
  Li  Li6  1  0.74955600  0.43020500  0.06734100  1
  Li  Li7  1  0.75015800  0.93194500  0.56999800  1
  Li  Li8  1  0.24947600  0.18383300  0.81525000  1
  Li  Li9  1  0.24998000  0.68677300  0.31351200  1
  Li  Li10  1  0.75023500  0.31597400  0.68440500  1
  Li  Li11  1  0.74915400  0.81322900  0.18613900  1
  Ni  Ni12  1  0.25042500  0.94552200  0.05345700  1
  Ni  Ni13  1  0.74980000  0.55393300  0.44607100  1
  Ni  Ni14  1  0.24904500  0.45056600  0.54843500  1
  Ni  Ni15  1  0.75263100  0.05072800  0.95223300  1
  O  O16  1  0.01226500  0.55583600  0.67454400  1
  O  O17  1  0.01355400  0.05529300  0.17195700  1
  O  O18  1  0.48493300  0.82717700  0.94542900  1
  O  O19  1  0.48701700  0.32485800  0.44382100  1
  O  O20  1  0.51206700  0.17418800  0.05589700  1
  O  O21  1  0.51421900  0.67241900  0.55473200  1
  O  O22  1  0.98533600  0.44483000  0.32749700  1
  O  O23  1  0.98737300  0.94371200  0.82463900  1
  F  F24  1  0.00651900  0.68896900  0.06442400  1
  F  F25  1  0.00068200  0.18361100  0.56149600  1
  F  F26  1  0.50675200  0.56400400  0.18911200  1
  F  F27  1  0.50172000  0.06210400  0.68406900  1
  F  F28  1  0.49903900  0.43805200  0.81606800  1
  F  F29  1  0.49303000  0.93591000  0.31143900  1
  F  F30  1  0.99987300  0.31651900  0.93852600  1
  F  F31  1  0.99330900  0.81128700  0.43567500  1
