# generated using pymatgen
data_LiNiSO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43208501
_cell_length_b   7.27077051
_cell_length_c   10.28229749
_cell_angle_alpha   76.29967681
_cell_angle_beta   79.11946760
_cell_angle_gamma   107.39114130
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiSO4F
_chemical_formula_sum   'Li4 Ni4 S4 O16 F4'
_cell_volume   361.45794268
_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  0.49591600  0.65341700  0.13385100  1
  Li  Li1  1  0.99573400  0.15360900  0.63342600  1
  Li  Li2  1  0.00426400  0.84635800  0.36614500  1
  Li  Li3  1  0.50452500  0.34623100  0.86656700  1
  Ni  Ni4  1  0.49999900  0.00005800  0.49994400  1
  Ni  Ni5  1  0.00013400  0.00006900  0.99949200  1
  Ni  Ni6  1  0.99994100  0.50000400  0.99999900  1
  Ni  Ni7  1  0.50036700  0.50014200  0.50043500  1
  S  S8  1  0.47564000  0.08544100  0.16323100  1
  S  S9  1  0.97570900  0.58554700  0.66347500  1
  S  S10  1  0.02429700  0.41454500  0.33679300  1
  S  S11  1  0.52420000  0.91437700  0.83654500  1
  O  O12  1  0.45096100  0.10579300  0.30424700  1
  O  O13  1  0.95158100  0.60634900  0.80433400  1
  O  O14  1  0.04867600  0.39411700  0.19579000  1
  O  O15  1  0.54796400  0.89346000  0.69576200  1
  O  O16  1  0.60285400  0.28890000  0.05402300  1
  O  O17  1  0.10257900  0.78877000  0.55404800  1
  O  O18  1  0.89723600  0.21105300  0.44602500  1
  O  O19  1  0.39755900  0.71121600  0.94595400  1
  O  O20  1  0.19423800  0.98493800  0.15886200  1
  O  O21  1  0.69407900  0.48475900  0.65948900  1
  O  O22  1  0.30562400  0.51528200  0.34114400  1
  O  O23  1  0.80570900  0.01538800  0.84047700  1
  O  O24  1  0.63387000  0.95488900  0.13754400  1
  O  O25  1  0.13363000  0.45478400  0.63790600  1
  O  O26  1  0.86591900  0.54507300  0.36248900  1
  O  O27  1  0.36622000  0.04511100  0.86210700  1
  F  F28  1  0.85489700  0.69752400  0.05818300  1
  F  F29  1  0.35489300  0.19753600  0.55835000  1
  F  F30  1  0.64536700  0.80265900  0.44170700  1
  F  F31  1  0.14541800  0.30260100  0.94165700  1
