# generated using pymatgen
data_LiNi2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98381053
_cell_length_b   6.08915317
_cell_length_c   8.60790000
_cell_angle_alpha   89.99997647
_cell_angle_beta   89.99999529
_cell_angle_gamma   89.99941552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2OF3
_chemical_formula_sum   'Li4 Ni8 O4 F12'
_cell_volume   313.64036114
_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  0.75000000  0.02728000  0.10627100  1
  Li  Li1  1  0.75000000  0.52728000  0.39372900  1
  Li  Li2  1  0.25000000  0.47272000  0.60627100  1
  Li  Li3  1  0.25000000  0.97272000  0.89372900  1
  Ni  Ni4  1  0.50000000  0.49999900  0.00000100  1
  Ni  Ni5  1  0.99999900  0.50000000  0.99999900  1
  Ni  Ni6  1  0.25000100  0.24601100  0.26175800  1
  Ni  Ni7  1  0.25000100  0.74601100  0.23824000  1
  Ni  Ni8  1  0.99999900  0.00000100  0.50000100  1
  Ni  Ni9  1  0.49999900  0.99999900  0.50000000  1
  Ni  Ni10  1  0.74999900  0.75398900  0.73824200  1
  Ni  Ni11  1  0.75000000  0.25398900  0.76175900  1
  O  O12  1  0.74999700  0.29202400  0.98569400  1
  O  O13  1  0.74999700  0.79202400  0.51430600  1
  O  O14  1  0.25000300  0.20797600  0.48569300  1
  O  O15  1  0.25000300  0.70797600  0.01430600  1
  F  F16  1  0.75000400  0.75011600  0.98008800  1
  F  F17  1  0.01166700  0.99504900  0.24878500  1
  F  F18  1  0.48833000  0.99504800  0.24878600  1
  F  F19  1  0.48833000  0.49504800  0.25121400  1
  F  F20  1  0.01166700  0.49504900  0.25121500  1
  F  F21  1  0.75000300  0.25011600  0.51991100  1
  F  F22  1  0.24999700  0.74988400  0.48008800  1
  F  F23  1  0.51167100  0.50495200  0.74878600  1
  F  F24  1  0.98833300  0.50495100  0.74878500  1
  F  F25  1  0.51167000  0.00495200  0.75121400  1
  F  F26  1  0.98833300  0.00495100  0.75121500  1
  F  F27  1  0.24999700  0.24988400  0.01991200  1
