# generated using pymatgen
data_Li2NiPO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26607236
_cell_length_b   10.37594337
_cell_length_c   10.75762656
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiPO4F
_chemical_formula_sum   'Li16 Ni8 P8 O32 F8'
_cell_volume   699.42228013
_cell_formula_units_Z   8
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  0.50710952  0.23772567  0.66667087  1
  Li  Li1  1  0.49289048  0.26227433  0.16667087  1
  Li  Li2  1  0.25000000  0.72710543  0.58176640  1
  Li  Li3  1  0.49289048  0.76227433  0.33332913  1
  Li  Li4  1  0.75000000  0.52579128  0.77402120  1
  Li  Li5  1  0.00710952  0.26227433  0.16667087  1
  Li  Li6  1  0.25000000  0.22710543  0.91823360  1
  Li  Li7  1  0.25000000  0.47420872  0.22597880  1
  Li  Li8  1  0.00710952  0.76227433  0.33332913  1
  Li  Li9  1  0.75000000  0.27289457  0.41823360  1
  Li  Li10  1  0.99289048  0.23772567  0.66667087  1
  Li  Li11  1  0.99289048  0.73772567  0.83332913  1
  Li  Li12  1  0.75000000  0.77289457  0.08176640  1
  Li  Li13  1  0.50710952  0.73772567  0.83332913  1
  Li  Li14  1  0.25000000  0.97420872  0.27402120  1
  Li  Li15  1  0.75000000  0.02579128  0.72597880  1
  Ni  Ni16  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni17  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni18  1  0.00000000  -0.00000000  -0.00000000  1
  Ni  Ni19  1  0.50000000  -0.00000000  -0.00000000  1
  Ni  Ni20  1  -0.00000000  0.50000000  -0.00000000  1
  Ni  Ni21  1  0.50000000  0.50000000  -0.00000000  1
  Ni  Ni22  1  -0.00000000  -0.00000000  0.50000000  1
  Ni  Ni23  1  0.50000000  -0.00000000  0.50000000  1
  P  P24  1  0.25000000  0.97744229  0.74425142  1
  P  P25  1  0.75000000  0.02255771  0.25574858  1
  P  P26  1  0.75000000  0.24361839  0.92151022  1
  P  P27  1  0.75000000  0.74361839  0.57848978  1
  P  P28  1  0.25000000  0.75638161  0.07848978  1
  P  P29  1  0.75000000  0.52255771  0.24425142  1
  P  P30  1  0.25000000  0.25638161  0.42151022  1
  P  P31  1  0.25000000  0.47744229  0.75574858  1
  O  O32  1  0.75000000  0.17042772  0.25674950  1
  O  O33  1  0.75000000  0.39053585  0.94423153  1
  O  O34  1  0.25000000  0.60946415  0.05576847  1
  O  O35  1  0.95104681  0.69045879  0.51376036  1
  O  O36  1  0.75000000  0.89053585  0.55576847  1
  O  O37  1  0.54895319  0.69045879  0.51376036  1
  O  O38  1  0.94780737  0.96475389  0.31933016  1
  O  O39  1  0.05219263  0.53524611  0.81933016  1
  O  O40  1  0.45104681  0.80954121  0.01376036  1
  O  O41  1  0.55219263  0.96475389  0.31933016  1
  O  O42  1  0.25000000  0.52774713  0.62022421  1
  O  O43  1  0.25000000  0.28402017  0.28248844  1
  O  O44  1  0.25000000  0.82957228  0.74325050  1
  O  O45  1  0.94780737  0.46475389  0.18066984  1
  O  O46  1  0.25000000  0.10946415  0.44423153  1
  O  O47  1  0.25000000  0.78402017  0.21751156  1
  O  O48  1  0.55219263  0.46475389  0.18066984  1
  O  O49  1  0.75000000  0.67042772  0.24325050  1
  O  O50  1  0.54895319  0.19045879  0.98623964  1
  O  O51  1  0.95104681  0.19045879  0.98623964  1
  O  O52  1  0.75000000  0.97225287  0.12022421  1
  O  O53  1  0.44780737  0.53524611  0.81933016  1
  O  O54  1  0.04895319  0.30954121  0.48623964  1
  O  O55  1  0.04895319  0.80954121  0.01376036  1
  O  O56  1  0.75000000  0.47225287  0.37977579  1
  O  O57  1  0.75000000  0.21597983  0.78248844  1
  O  O58  1  0.45104681  0.30954121  0.48623964  1
  O  O59  1  0.25000000  0.02774713  0.87977579  1
  O  O60  1  0.44780737  0.03524611  0.68066984  1
  O  O61  1  0.05219263  0.03524611  0.68066984  1
  O  O62  1  0.75000000  0.71597983  0.71751156  1
  O  O63  1  0.25000000  0.32957228  0.75674950  1
  F  F64  1  0.75000000  0.45116753  0.61763158  1
  F  F65  1  0.75000000  0.12874477  0.52650686  1
  F  F66  1  0.25000000  0.54883247  0.38236842  1
  F  F67  1  0.25000000  0.04883247  0.11763158  1
  F  F68  1  0.75000000  0.62874477  0.97349314  1
  F  F69  1  0.75000000  0.95116753  0.88236842  1
  F  F70  1  0.25000000  0.87125523  0.47349314  1
  F  F71  1  0.25000000  0.37125523  0.02650686  1
