data_[Li5Ni5O9F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0229]
_cell_length_b [5.8193]
_cell_length_c [6.6312]
_cell_angle_alpha [102.8279]
_cell_angle_beta [98.5434]
_cell_angle_gamma [107.1460]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li5Ni5O9F]
_chemical_formula_sum '[Li5 Ni5 O9 F1]'
_cell_volume [175.7614]
_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  0.1961  0.9028  0.4018  1.0
  Li  Li1  1  0.3991  0.3029  0.8038  1.0
  Li  Li2  1  0.6177  0.6986  0.2030  1.0
  Li  Li3  1  0.7920  0.1056  0.6021  1.0
  Li  Li4  1  0.9994  0.4884  0.0001  1.0
  Ni  Ni5  1  0.2054  0.4023  0.3957  1.0
  Ni  Ni6  1  0.3983  0.7996  0.7927  1.0
  Ni  Ni7  1  0.6068  0.2103  0.1970  1.0
  Ni  Ni8  1  0.8005  0.6001  0.5999  1.0
  Ni  Ni9  1  0.9904  0.0030  0.9990  1.0
  O  O10  1  0.0957  0.9313  0.7216  1.0
  O  O11  1  0.0962  0.4755  0.6987  1.0
  O  O12  1  0.2806  0.3222  0.0912  1.0
  O  O13  1  0.4964  0.2724  0.4927  1.0
  O  O14  1  0.5100  0.7287  0.5003  1.0
  O  O15  1  0.6736  0.1273  0.8926  1.0
  O  O16  1  0.6942  0.6780  0.9010  1.0
  O  O17  1  0.9195  0.0659  0.2859  1.0
  O  O18  1  0.9267  0.5463  0.3108  1.0
  F  F19  1  0.3014  0.8389  0.1102  1.0
]