# generated using pymatgen
data_LiNi3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13350200
_cell_length_b   5.14463694
_cell_length_c   5.48293709
_cell_angle_alpha   116.67904743
_cell_angle_beta   90.76996690
_cell_angle_gamma   119.45358146
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi3OF5
_chemical_formula_sum   'Li1 Ni3 O1 F5'
_cell_volume   107.43908643
_cell_formula_units_Z   1
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  0.32060900  0.16377400  0.56047400  1
  Ni  Ni1  1  0.69520900  0.33090200  0.97243300  1
  Ni  Ni2  1  0.28277800  0.62776900  0.04895000  1
  Ni  Ni3  1  0.70872000  0.87362300  0.43562500  1
  O  O4  1  0.80265100  0.25601700  0.24937900  1
  F  F5  1  0.51266200  0.45182300  0.75194400  1
  F  F6  1  0.18512900  0.93330000  0.23869800  1
  F  F7  1  0.80549500  0.05313200  0.74820000  1
  F  F8  1  0.19016900  0.74808400  0.74297300  1
  F  F9  1  0.49657900  0.56157800  0.25132300  1
