# generated using pymatgen
data_Li5NiOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.90620746
_cell_length_b   5.81180397
_cell_length_c   12.40196500
_cell_angle_alpha   90.00013755
_cell_angle_beta   90.00000653
_cell_angle_gamma   89.99988847
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5NiOF5
_chemical_formula_sum   'Li10 Ni2 O2 F10'
_cell_volume   209.47300916
_cell_formula_units_Z   2
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  0.50005300  0.25004600  0.49998800  1
  Li  Li1  1  0.50005300  0.75004600  0.49998800  1
  Li  Li2  1  0.50002000  0.25001200  0.16931400  1
  Li  Li3  1  0.50002000  0.75001700  0.16931400  1
  Li  Li4  1  0.50001800  0.25001100  0.83070000  1
  Li  Li5  1  0.50001800  0.75001600  0.83070000  1
  Li  Li6  1  0.00005600  0.00004700  0.33750900  1
  Li  Li7  1  0.00005600  0.50004700  0.33751000  1
  Li  Li8  1  0.00005500  0.00004600  0.66247900  1
  Li  Li9  1  0.00005500  0.50004600  0.66247800  1
  Ni  Ni10  1  0.99982500  0.99985000  0.00002500  1
  Ni  Ni11  1  0.99982100  0.49984600  0.00003000  1
  O  O12  1  0.49980400  0.24984000  0.00002800  1
  O  O13  1  0.49980700  0.74981500  0.00002800  1
  F  F14  1  0.00003300  0.00004100  0.49997600  1
  F  F15  1  0.00003300  0.50004100  0.49997600  1
  F  F16  1  0.00002000  0.00001300  0.17458200  1
  F  F17  1  0.00002000  0.50001300  0.17457100  1
  F  F18  1  0.00001200  0.00001000  0.82543200  1
  F  F19  1  0.00001200  0.50001000  0.82544300  1
  F  F20  1  0.50005700  0.25005000  0.33629100  1
  F  F21  1  0.50005700  0.75005100  0.33629100  1
  F  F22  1  0.50004900  0.25004300  0.66367300  1
  F  F23  1  0.50004900  0.75004400  0.66367300  1
