# generated using pymatgen
data_Li4NiOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91190745
_cell_length_b   11.64576232
_cell_length_c   11.36684431
_cell_angle_alpha   112.59038656
_cell_angle_beta   97.36303489
_cell_angle_gamma   90.00221595
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4NiOF4
_chemical_formula_sum   'Li16 Ni4 O4 F16'
_cell_volume   352.44449285
_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  0.60074300  0.20055700  0.20147600  1
  Li  Li1  1  0.60087200  0.45065600  0.20174000  1
  Li  Li2  1  0.60073800  0.70055900  0.20147200  1
  Li  Li3  1  0.60087400  0.95066900  0.20175200  1
  Li  Li4  1  0.39913600  0.29932800  0.79824700  1
  Li  Li5  1  0.39928500  0.54943800  0.79852700  1
  Li  Li6  1  0.39913900  0.79934900  0.79825600  1
  Li  Li7  1  0.39928500  0.04944100  0.79852600  1
  Li  Li8  1  0.20166200  0.15121400  0.40323200  1
  Li  Li9  1  0.20165900  0.40119800  0.40322600  1
  Li  Li10  1  0.20166100  0.65121300  0.40322800  1
  Li  Li11  1  0.20166300  0.90121600  0.40323500  1
  Li  Li12  1  0.79835300  0.34878000  0.59676300  1
  Li  Li13  1  0.79836000  0.59879000  0.59677100  1
  Li  Li14  1  0.79836000  0.84879800  0.59677300  1
  Li  Li15  1  0.79835700  0.09879000  0.59677100  1
  Ni  Ni16  1  0.00009700  0.49992600  0.99998000  1
  Ni  Ni17  1  0.99990400  0.75006200  0.99999600  1
  Ni  Ni18  1  0.00010000  0.99987600  0.00001800  1
  Ni  Ni19  1  0.99958600  0.25014300  0.00002700  1
  O  O20  1  0.49998200  0.12499900  0.00000000  1
  O  O21  1  0.50003800  0.37502000  0.00001900  1
  O  O22  1  0.49998900  0.62500300  0.99999400  1
  O  O23  1  0.50002200  0.87498200  0.99999000  1
  F  F24  1  0.10433800  0.07809400  0.20867100  1
  F  F25  1  0.10435700  0.32843700  0.20871100  1
  F  F26  1  0.10432900  0.57814500  0.20869800  1
  F  F27  1  0.10433500  0.82840400  0.20871200  1
  F  F28  1  0.89569100  0.42161800  0.79131000  1
  F  F29  1  0.89566400  0.67183000  0.79127100  1
  F  F30  1  0.89566100  0.92158300  0.79131600  1
  F  F31  1  0.89565800  0.17188900  0.79130300  1
  F  F32  1  0.70097300  0.27564500  0.40172300  1
  F  F33  1  0.70093300  0.52571800  0.40177700  1
  F  F34  1  0.70096100  0.77560200  0.40168200  1
  F  F35  1  0.70092900  0.02567200  0.40175400  1
  F  F36  1  0.29906500  0.22439600  0.59830300  1
  F  F37  1  0.29910400  0.47432900  0.59825700  1
  F  F38  1  0.29905600  0.72434900  0.59828100  1
  F  F39  1  0.29907800  0.97428100  0.59821200  1
