# generated using pymatgen
data_LiNi2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98563425
_cell_length_b   7.98563425
_cell_length_c   7.98563425
_cell_angle_alpha   136.83870518
_cell_angle_beta   115.40384382
_cell_angle_gamma   80.88441601
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2OF3
_chemical_formula_sum   'Li4 Ni8 O4 F12'
_cell_volume   304.67462658
_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  0.51083800  0.86476700  0.64607100  1
  Li  Li1  1  0.78130500  0.13523300  0.64607100  1
  Li  Li2  1  0.73391200  0.37080000  0.36311200  1
  Li  Li3  1  0.99231200  0.62920000  0.36311200  1
  Ni  Ni4  1  0.73596700  0.74877500  0.98719200  1
  Ni  Ni5  1  0.13099700  0.13962300  0.50676400  1
  Ni  Ni6  1  0.36714000  0.86037700  0.99137400  1
  Ni  Ni7  1  0.98383100  0.00000000  0.98383100  1
  Ni  Ni8  1  0.23841700  0.25122500  0.98719200  1
  Ni  Ni9  1  0.51928900  0.50000000  0.01928900  1
  Ni  Ni10  1  0.13099700  0.62423300  0.99137400  1
  Ni  Ni11  1  0.36714000  0.37576700  0.50676400  1
  O  O12  1  0.49197300  0.72906200  0.76291100  1
  O  O13  1  0.03384900  0.27093800  0.76291100  1
  O  O14  1  0.28446100  0.50000000  0.78446100  1
  O  O15  1  0.21896100  0.00000000  0.21896100  1
  F  F16  1  0.62917500  0.86641400  0.24545500  1
  F  F17  1  0.75552000  0.00000000  0.75552000  1
  F  F18  1  0.37904200  0.13358600  0.76276200  1
  F  F19  1  0.12428000  0.88702300  0.75903600  1
  F  F20  1  0.62917500  0.38372000  0.76276200  1
  F  F21  1  0.47047900  0.23791600  0.23256300  1
  F  F22  1  0.87201300  0.11297700  0.23725700  1
  F  F23  1  0.12428000  0.36524400  0.23725700  1
  F  F24  1  0.37904200  0.61628000  0.24545500  1
  F  F25  1  0.74895100  0.50000000  0.24895100  1
  F  F26  1  0.99464700  0.76208400  0.23256300  1
  F  F27  1  0.87201300  0.63475600  0.75903600  1
