# generated using pymatgen
data_Li2NiPO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34069350
_cell_length_b   7.41069028
_cell_length_c   10.62418342
_cell_angle_alpha   71.61378050
_cell_angle_beta   94.10787639
_cell_angle_gamma   71.67246137
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiPO4F
_chemical_formula_sum   'Li8 Ni4 P4 O16 F4'
_cell_volume   371.90826541
_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  0.45802400  0.11287400  0.42856400  1
  Li  Li1  1  0.45809100  0.11303200  0.92834700  1
  Li  Li2  1  0.82981700  0.86287700  0.24200400  1
  Li  Li3  1  0.82866000  0.86292300  0.74217900  1
  Li  Li4  1  0.05234900  0.47205900  0.25726800  1
  Li  Li5  1  0.05203000  0.47226700  0.75722200  1
  Li  Li6  1  0.54749100  0.70436700  0.11073400  1
  Li  Li7  1  0.54758800  0.70430500  0.61062900  1
  Ni  Ni8  1  0.00077800  0.01695900  0.49700800  1
  Ni  Ni9  1  0.00275900  0.50730200  0.50237600  1
  Ni  Ni10  1  0.00023200  0.01727200  0.99689900  1
  Ni  Ni11  1  0.00307400  0.50689600  0.00243600  1
  P  P12  1  0.63047800  0.26231600  0.17078500  1
  P  P13  1  0.63047200  0.26239500  0.67072000  1
  P  P14  1  0.36493400  0.76802700  0.32682500  1
  P  P15  1  0.36522800  0.76811100  0.82673200  1
  O  O16  1  0.19066300  0.63185300  0.35600800  1
  O  O17  1  0.18932000  0.63318300  0.85575700  1
  O  O18  1  0.77738900  0.41760900  0.14148500  1
  O  O19  1  0.77730600  0.41772800  0.64146400  1
  O  O20  1  0.67054100  0.65180700  0.33945300  1
  O  O21  1  0.67104500  0.65118000  0.84000000  1
  O  O22  1  0.33490900  0.88199700  0.42883600  1
  O  O23  1  0.33517100  0.88243100  0.92856200  1
  O  O24  1  0.67716400  0.14069600  0.07370700  1
  O  O25  1  0.67739200  0.14069500  0.57374100  1
  O  O26  1  0.73979100  0.09875800  0.31662900  1
  O  O27  1  0.73988800  0.09885200  0.81657600  1
  O  O28  1  0.32829800  0.37720900  0.15830800  1
  O  O29  1  0.32826500  0.37723600  0.65841800  1
  O  O30  1  0.27012900  0.90935900  0.17707700  1
  O  O31  1  0.27277400  0.90875500  0.67671700  1
  F  F32  1  0.88959200  0.75369000  0.07730100  1
  F  F33  1  0.88961100  0.75369900  0.57729200  1
  F  F34  1  0.10278300  0.27097900  0.43221900  1
  F  F35  1  0.10269500  0.27112900  0.93183900  1
