# generated using pymatgen
data_Li3Ni(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99737511
_cell_length_b   11.74676100
_cell_length_c   5.02975393
_cell_angle_alpha   89.99940888
_cell_angle_beta   107.76581465
_cell_angle_gamma   89.99944415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ni(OF)2
_chemical_formula_sum   'Li12 Ni4 O8 F8'
_cell_volume   281.18095541
_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  0.25000300  0.05785300  0.50001800  1
  Li  Li1  1  0.24999400  0.55788100  0.49999100  1
  Li  Li2  1  0.74999800  0.44211300  0.50000100  1
  Li  Li3  1  0.74999700  0.94214200  0.50000700  1
  Li  Li4  1  0.25000100  0.31948300  0.50000100  1
  Li  Li5  1  0.25000200  0.81954000  0.50001700  1
  Li  Li6  1  0.74999900  0.18045400  0.50000800  1
  Li  Li7  1  0.75000300  0.68050900  0.50000300  1
  Li  Li8  1  0.25000800  0.18291900  0.00001200  1
  Li  Li9  1  0.25000100  0.68304200  0.00001600  1
  Li  Li10  1  0.75000900  0.31695700  0.00001400  1
  Li  Li11  1  0.74999500  0.81708000  0.00001100  1
  Ni  Ni12  1  0.24994800  0.94464900  0.00004200  1
  Ni  Ni13  1  0.75001100  0.05535400  0.99998500  1
  Ni  Ni14  1  0.25008600  0.44456500  0.99988700  1
  Ni  Ni15  1  0.74992700  0.55546600  0.99989900  1
  O  O16  1  0.01530500  0.44327400  0.22837700  1
  O  O17  1  0.01531700  0.94326200  0.22847200  1
  O  O18  1  0.48472200  0.44326800  0.77155600  1
  O  O19  1  0.48463600  0.94326600  0.77162400  1
  O  O20  1  0.51535300  0.05673300  0.22843000  1
  O  O21  1  0.51529900  0.55673500  0.22840400  1
  O  O22  1  0.98466900  0.05673300  0.77157800  1
  O  O23  1  0.98469900  0.55673800  0.77156500  1
  F  F24  1  0.00491900  0.31103400  0.75015200  1
  F  F25  1  0.00485700  0.81109200  0.75013500  1
  F  F26  1  0.50486700  0.18890500  0.75012900  1
  F  F27  1  0.50491100  0.68896200  0.75015500  1
  F  F28  1  0.49509500  0.31103400  0.24986100  1
  F  F29  1  0.49513500  0.81109100  0.24989700  1
  F  F30  1  0.99514300  0.18890200  0.24988900  1
  F  F31  1  0.99508900  0.68896400  0.24986200  1
