data_[Li9Ni9O3F21]
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 [R3m]
_cell_length_a [6.0088]
_cell_length_b [6.0088]
_cell_length_c [14.5644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li3Ni3OF7]
_chemical_formula_sum '[Li9 Ni9 O3 F21]'
_cell_volume [455.3976]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0009  1.0
  Li  Li1  3  0.0000  0.0000  0.2577  1.0
  Li  Li2  3  0.0000  0.0000  0.6241  1.0
  Ni  Ni3  9  0.0126  0.5063  0.1214  1.0
  O  O4  3  0.0000  0.0000  0.3863  1.0
  F  F5  9  0.0191  0.5096  0.3777  1.0
  F  F6  9  0.1753  0.3506  0.2074  1.0
  F  F7  3  0.0000  0.0000  0.8646  1.0
]