# generated using pymatgen
data_Li3Ni2P2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.65613100
_cell_length_b   6.30401900
_cell_length_c   12.62820030
_cell_angle_alpha   60.20987998
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ni2P2(O4F)2
_chemical_formula_sum   'Li12 Ni8 P8 O32 F8'
_cell_volume   736.21347688
_cell_formula_units_Z   4
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  0.03703100  0.02503000  0.72903800  1
  Li  Li1  1  0.22828600  0.33242300  0.91543100  1
  Li  Li2  1  0.24205700  0.84101500  0.66584500  1
  Li  Li3  1  0.25794300  0.84101500  0.16584500  1
  Li  Li4  1  0.27171400  0.33242300  0.41543100  1
  Li  Li5  1  0.46296900  0.02503000  0.22903800  1
  Li  Li6  1  0.53703100  0.97497000  0.77096200  1
  Li  Li7  1  0.72828600  0.66757700  0.58456900  1
  Li  Li8  1  0.74205700  0.15898500  0.83415500  1
  Li  Li9  1  0.75794300  0.15898500  0.33415500  1
  Li  Li10  1  0.77171400  0.66757700  0.08456900  1
  Li  Li11  1  0.96296900  0.97497000  0.27096200  1
  Ni  Ni12  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni13  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni14  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni15  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni16  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni17  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni18  1  0.50000000  0.00000000  0.00000000  1
  Ni  Ni19  1  0.50000000  0.50000000  0.00000000  1
  P  P20  1  0.02960300  0.49390200  0.25849400  1
  P  P21  1  0.23956000  0.82248100  0.92288700  1
  P  P22  1  0.26044000  0.82248100  0.42288700  1
  P  P23  1  0.47039700  0.49390200  0.75849400  1
  P  P24  1  0.52960300  0.50609800  0.24150600  1
  P  P25  1  0.73956000  0.17751900  0.57711300  1
  P  P26  1  0.76044000  0.17751900  0.07711300  1
  P  P27  1  0.97039700  0.50609800  0.74150600  1
  O  O28  1  0.02386200  0.37276500  0.87443200  1
  O  O29  1  0.02594700  0.37163300  0.67679700  1
  O  O30  1  0.02627200  0.76866600  0.67937800  1
  O  O31  1  0.11726200  0.79137100  0.45444500  1
  O  O32  1  0.17341200  0.50570500  0.25977600  1
  O  O33  1  0.18269500  0.56193400  0.98159300  1
  O  O34  1  0.18680100  0.96326900  0.98579800  1
  O  O35  1  0.21674500  0.95531900  0.78543400  1
  O  O36  1  0.28325500  0.95531900  0.28543400  1
  O  O37  1  0.31730500  0.56193400  0.48159300  1
  O  O38  1  0.31319900  0.96326900  0.48579800  1
  O  O39  1  0.32658800  0.50570500  0.75977600  1
  O  O40  1  0.38273800  0.79137100  0.95444500  1
  O  O41  1  0.47372800  0.76866600  0.17937800  1
  O  O42  1  0.47405300  0.37163300  0.17679700  1
  O  O43  1  0.47613800  0.37276500  0.37443200  1
  O  O44  1  0.52386200  0.62723500  0.62556800  1
  O  O45  1  0.52627200  0.23133400  0.82062200  1
  O  O46  1  0.52594700  0.62836700  0.82320300  1
  O  O47  1  0.61726200  0.20862900  0.04555500  1
  O  O48  1  0.67341200  0.49429500  0.24022400  1
  O  O49  1  0.68680100  0.03673100  0.51420200  1
  O  O50  1  0.68269500  0.43806600  0.51840700  1
  O  O51  1  0.71674500  0.04468100  0.71456600  1
  O  O52  1  0.78325500  0.04468100  0.21456600  1
  O  O53  1  0.81319900  0.03673100  0.01420200  1
  O  O54  1  0.81730500  0.43806600  0.01840700  1
  O  O55  1  0.82658800  0.49429500  0.74022400  1
  O  O56  1  0.88273800  0.20862900  0.54555500  1
  O  O57  1  0.97372800  0.23133400  0.32062200  1
  O  O58  1  0.97405300  0.62836700  0.32320300  1
  O  O59  1  0.97613800  0.62723500  0.12556800  1
  F  F60  1  0.04116100  0.13221400  0.11413300  1
  F  F61  1  0.12275200  0.22251700  0.52086000  1
  F  F62  1  0.37724800  0.22251700  0.02086000  1
  F  F63  1  0.45883900  0.13221400  0.61413300  1
  F  F64  1  0.54116100  0.86778600  0.38586700  1
  F  F65  1  0.62275200  0.77748300  0.97914000  1
  F  F66  1  0.87724800  0.77748300  0.47914000  1
  F  F67  1  0.95883900  0.86778600  0.88586700  1
