data_[Li6Ni6O6F10]
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 [Cm]
_cell_length_a [10.4742]
_cell_length_b [5.7066]
_cell_length_c [5.8863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0026]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li3Ni3O3F5]
_chemical_formula_sum '[Li6 Ni6 O6 F10]'
_cell_volume [291.6790]
_cell_formula_units_Z [2]
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  2  0.1165  0.5000  0.8664  1.0
  Li  Li1  2  0.2603  0.0000  0.7655  1.0
  Li  Li2  2  0.4936  0.5000  0.9758  1.0
  Ni  Ni3  4  0.3750  0.2466  0.3815  1.0
  Ni  Ni4  2  0.1255  0.5000  0.3777  1.0
  O  O5  2  0.3553  0.5000  0.5712  1.0
  O  O6  2  0.3825  0.0000  0.5987  1.0
  O  O7  2  0.3942  0.0000  0.1894  1.0
  F  F8  4  0.1212  0.2548  0.6265  1.0
  F  F9  4  0.1300  0.2593  0.1230  1.0
  F  F10  2  0.3699  0.5000  0.1431  1.0
]