# generated using pymatgen
data_LiNi2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04169500
_cell_length_b   5.97861500
_cell_length_c   10.21644400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2OF3
_chemical_formula_sum   'Li4 Ni8 O4 F12'
_cell_volume   307.94766505
_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  0.96744900  0.75000000  0.59260900  1
  Li  Li1  1  0.53255100  0.75000000  0.09260900  1
  Li  Li2  1  0.46744900  0.25000000  0.90739100  1
  Li  Li3  1  0.03255100  0.25000000  0.40739100  1
  Ni  Ni4  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni5  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni6  1  0.99372400  0.25000000  0.74144700  1
  Ni  Ni7  1  0.50627600  0.25000000  0.24144700  1
  Ni  Ni8  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni9  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni10  1  0.49372400  0.75000000  0.75855300  1
  Ni  Ni11  1  0.00627600  0.75000000  0.25855300  1
  O  O12  1  0.83013800  0.25000000  0.91394400  1
  O  O13  1  0.66986200  0.25000000  0.41394400  1
  O  O14  1  0.33013800  0.75000000  0.58605600  1
  O  O15  1  0.16986200  0.75000000  0.08605600  1
  F  F16  1  0.77809900  0.75000000  0.42548800  1
  F  F17  1  0.76069600  0.99120300  0.66967800  1
  F  F18  1  0.76069600  0.50879700  0.66967800  1
  F  F19  1  0.73930400  0.99120300  0.16967800  1
  F  F20  1  0.73930400  0.50879700  0.16967800  1
  F  F21  1  0.72190100  0.75000000  0.92548800  1
  F  F22  1  0.27809900  0.25000000  0.07451200  1
  F  F23  1  0.26069600  0.00879700  0.83032200  1
  F  F24  1  0.26069600  0.49120300  0.83032200  1
  F  F25  1  0.23930400  0.49120300  0.33032200  1
  F  F26  1  0.23930400  0.00879700  0.33032200  1
  F  F27  1  0.22190100  0.25000000  0.57451200  1
