data_[Li3Ni5O1F11]
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 [5.1277]
_cell_length_b [5.4895]
_cell_length_c [8.8951]
_cell_angle_alpha [74.2789]
_cell_angle_beta [89.6983]
_cell_angle_gamma [62.8687]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3Ni5OF11]
_chemical_formula_sum '[Li3 Ni5 O1 F11]'
_cell_volume [212.4436]
_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  0.2927  0.4240  0.4397  1.0
  Li  Li1  1  0.7104  0.5724  0.5737  1.0
  Li  Li2  1  0.7778  0.4431  0.9282  1.0
  Ni  Ni3  1  0.0118  0.9742  0.6700  1.0
  Ni  Ni4  1  0.2410  0.5623  0.0714  1.0
  Ni  Ni5  1  0.4727  0.0231  0.8341  1.0
  Ni  Ni6  1  0.5164  0.9445  0.1683  1.0
  Ni  Ni7  1  0.9826  0.0360  0.3279  1.0
  O  O8  1  0.4821  0.7480  0.0280  1.0
  F  F9  1  0.0231  0.2514  0.4669  1.0
  F  F10  1  0.0261  0.2540  0.7756  1.0
  F  F11  1  0.0721  0.2525  0.1289  1.0
  F  F12  1  0.4254  0.7544  0.3743  1.0
  F  F13  1  0.4542  0.7611  0.7133  1.0
  F  F14  1  0.5296  0.2498  0.9697  1.0
  F  F15  1  0.5346  0.2445  0.2799  1.0
  F  F16  1  0.5688  0.2380  0.6327  1.0
  F  F17  1  0.9434  0.7504  0.8711  1.0
  F  F18  1  0.9672  0.7597  0.5276  1.0
  F  F19  1  0.9678  0.7568  0.2187  1.0
]