data_[Li4Ni2P2O8F2]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3080]
_cell_length_b [5.3436]
_cell_length_c [7.3796]
_cell_angle_alpha [107.0900]
_cell_angle_beta [108.1914]
_cell_angle_gamma [94.6888]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2NiPO4F]
_chemical_formula_sum '[Li4 Ni2 P2 O8 F2]'
_cell_volume [186.5711]
_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  1  0.2334  0.5862  0.1541  1.0
  Li  Li1  1  0.4406  0.1315  0.8478  1.0
  Li  Li2  1  0.5008  0.9925  0.4842  1.0
  Li  Li3  1  0.8044  0.4420  0.8291  1.0
  Ni  Ni4  1  0.9861  0.9863  0.4895  1.0
  Ni  Ni5  1  0.9956  0.0010  0.0066  1.0
  P  P6  1  0.3374  0.6281  0.7653  1.0
  P  P7  1  0.6614  0.3681  0.2431  1.0
  O  O8  1  0.1401  0.6605  0.8857  1.0
  O  O9  1  0.2699  0.7894  0.6181  1.0
  O  O10  1  0.3284  0.3262  0.6611  1.0
  O  O11  1  0.3630  0.2504  0.0891  1.0
  O  O12  1  0.6305  0.7469  0.9139  1.0
  O  O13  1  0.6637  0.6673  0.3449  1.0
  O  O14  1  0.7356  0.2219  0.3971  1.0
  O  O15  1  0.8437  0.3349  0.1092  1.0
  F  F16  1  0.1477  0.9172  0.2702  1.0
  F  F17  1  0.8455  0.0812  0.7325  1.0
]