# generated using pymatgen
data_Li3NiOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07058617
_cell_length_b   5.07058617
_cell_length_c   10.11549829
_cell_angle_alpha   80.14586617
_cell_angle_beta   80.14586617
_cell_angle_gamma   33.90872302
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiOF3
_chemical_formula_sum   'Li6 Ni2 O2 F6'
_cell_volume   142.74895588
_cell_formula_units_Z   2
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  0.24954200  0.24954200  0.88117200  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Li  Li2  1  0.50000000  0.50000000  0.50000000  1
  Li  Li3  1  0.99611900  0.99611900  0.25557600  1
  Li  Li4  1  0.75045800  0.75045800  0.11882800  1
  Li  Li5  1  0.00388100  0.00388100  0.74442400  1
  Ni  Ni6  1  0.25496900  0.25496900  0.38324500  1
  Ni  Ni7  1  0.74503100  0.74503100  0.61675500  1
  O  O8  1  0.12578300  0.12578300  0.56537700  1
  O  O9  1  0.87421700  0.87421700  0.43462300  1
  F  F10  1  0.12453500  0.12453500  0.06062300  1
  F  F11  1  0.37369700  0.37369700  0.18149900  1
  F  F12  1  0.36849500  0.36849500  0.69935900  1
  F  F13  1  0.87546500  0.87546500  0.93937700  1
  F  F14  1  0.62630300  0.62630300  0.81850100  1
  F  F15  1  0.63150500  0.63150500  0.30064100  1
