# generated using pymatgen
data_Li3NiOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.90949338
_cell_length_b   16.88782488
_cell_length_c   5.81896131
_cell_angle_alpha   99.92056635
_cell_angle_beta   90.00019495
_cell_angle_gamma   90.00002180
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiOF3
_chemical_formula_sum   'Li12 Ni4 O4 F12'
_cell_volume   281.63962311
_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  0.00007000  0.25000000  0.62496400  1
  Li  Li1  1  0.00007000  0.75000000  0.87496400  1
  Li  Li2  1  0.00007000  0.25000000  0.12496400  1
  Li  Li3  1  0.00007000  0.75000000  0.37496400  1
  Li  Li4  1  0.50005500  0.12570300  0.31282300  1
  Li  Li5  1  0.50005500  0.62570300  0.56282300  1
  Li  Li6  1  0.50005500  0.12570300  0.81282300  1
  Li  Li7  1  0.50005500  0.62570300  0.06282300  1
  Li  Li8  1  0.50005400  0.37429600  0.43712000  1
  Li  Li9  1  0.50005400  0.87429600  0.68712000  1
  Li  Li10  1  0.50005400  0.37429600  0.93712000  1
  Li  Li11  1  0.50005400  0.87429600  0.18712000  1
  Ni  Ni12  1  0.99979000  0.00000200  0.00011100  1
  Ni  Ni13  1  0.99979000  0.50000200  0.25011100  1
  Ni  Ni14  1  0.99979000  0.00000200  0.50011100  1
  Ni  Ni15  1  0.99979000  0.50000200  0.75011100  1
  O  O16  1  0.49988700  0.50000000  0.50005800  1
  O  O17  1  0.49988700  0.00000000  0.75005800  1
  O  O18  1  0.49988700  0.50000000  0.00005800  1
  O  O19  1  0.49988700  0.00000000  0.25005800  1
  F  F20  1  0.50002600  0.24999900  0.37498600  1
  F  F21  1  0.50002600  0.74999900  0.62498600  1
  F  F22  1  0.50002600  0.24999900  0.87498600  1
  F  F23  1  0.50002600  0.74999900  0.12498600  1
  F  F24  1  0.00006100  0.12988100  0.56490900  1
  F  F25  1  0.00006100  0.62988100  0.81490900  1
  F  F26  1  0.00006100  0.12988100  0.06490900  1
  F  F27  1  0.00006100  0.62988100  0.31490900  1
  F  F28  1  0.00005700  0.37011800  0.68502800  1
  F  F29  1  0.00005700  0.87011800  0.93502800  1
  F  F30  1  0.00005700  0.37011800  0.18502800  1
  F  F31  1  0.00005700  0.87011800  0.43502800  1
