data_[Li14Ni2O2F14]
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 [12.6172]
_cell_length_b [2.9259]
_cell_length_c [9.6741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li7NiOF7]
_chemical_formula_sum '[Li14 Ni2 O2 F14]'
_cell_volume [279.9757]
_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  0.0010  0.5000  0.5028  1.0
  Li  Li1  2  0.1145  0.5000  0.8585  1.0
  Li  Li2  2  0.1305  0.0000  0.3861  1.0
  Li  Li3  2  0.2511  0.0000  0.7399  1.0
  Li  Li4  2  0.2595  0.5000  0.2619  1.0
  Li  Li5  2  0.3717  0.0000  0.1287  1.0
  Li  Li6  2  0.3802  0.5000  0.6385  1.0
  Ni  Ni7  2  0.4938  0.5000  0.9819  1.0
  O  O8  2  0.4382  0.0000  0.8145  1.0
  F  F9  2  0.0620  0.5000  0.1875  1.0
  F  F10  2  0.0666  0.0000  0.6840  1.0
  F  F11  2  0.1821  0.5000  0.5546  1.0
  F  F12  2  0.1935  0.0000  0.0724  1.0
  F  F13  2  0.3108  0.5000  0.9438  1.0
  F  F14  2  0.3112  0.0000  0.4328  1.0
  F  F15  2  0.4385  0.5000  0.3121  1.0
]