data_[Li5Ni3O5F3]
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 [5.6983]
_cell_length_b [5.8391]
_cell_length_c [5.8916]
_cell_angle_alpha [119.4305]
_cell_angle_beta [118.7290]
_cell_angle_gamma [90.3106]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li5Ni3O5F3]
_chemical_formula_sum '[Li5 Ni3 O5 F3]'
_cell_volume [142.0309]
_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  0.0015  0.9994  0.4986  1
  Li  Li1  1  0.5068  0.4914  0.9970  1
  Li  Li2  1  0.5128  0.0117  0.5221  1
  Li  Li3  1  0.9841  0.4839  0.9891  1
  Li  Li4  1  0.9914  0.0075  0.9965  1
  Ni  Ni5  1  0.5004  0.5007  0.5000  1
  Ni  Ni6  1  0.5061  0.0062  0.9987  1
  Ni  Ni7  1  0.9871  0.4875  0.4720  1
  O  O8  1  0.2493  0.2846  0.4998  1
  O  O9  1  0.2665  0.7347  0.5224  1
  O  O10  1  0.7343  0.2670  0.4814  1
  O  O11  1  0.7461  0.2464  0.9968  1
  O  O12  1  0.7526  0.7178  0.5018  1
  F  F13  1  0.2349  0.2454  0.9798  1
  F  F14  1  0.2607  0.7603  0.0225  1
  F  F15  1  0.7655  0.7556  0.0214  1
]