# generated using pymatgen
data_Li5Ni3O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59938400
_cell_length_b   5.75624413
_cell_length_c   5.98309470
_cell_angle_alpha   118.67083208
_cell_angle_beta   117.37320033
_cell_angle_gamma   90.35921055
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Ni3O5F3
_chemical_formula_sum   'Li5 Ni3 O5 F3'
_cell_volume   143.74383446
_cell_formula_units_Z   1
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  0.50106900  0.49866500  0.50165100  1
  Li  Li1  1  0.99655200  0.00273200  0.00311400  1
  Li  Li2  1  0.99780000  0.47351700  0.01223300  1
  Li  Li3  1  0.99031800  0.53034600  0.47985300  1
  Li  Li4  1  0.50864000  0.48828400  0.00404800  1
  Ni  Ni5  1  0.50650300  0.00422200  0.00140500  1
  Ni  Ni6  1  0.51918400  0.95042100  0.53441800  1
  Ni  Ni7  1  0.00014900  0.00189600  0.49903300  1
  O  O8  1  0.74795900  0.26040700  0.99390400  1
  O  O9  1  0.26194000  0.72257600  0.53641300  1
  O  O10  1  0.75863200  0.78217700  0.50288700  1
  O  O11  1  0.24302700  0.21868000  0.49695000  1
  O  O12  1  0.73489200  0.28195100  0.45950700  1
  F  F13  1  0.27859100  0.15659600  0.06669700  1
  F  F14  1  0.72282600  0.83972500  0.93646100  1
  F  F15  1  0.23191700  0.78780500  0.97142600  1
