# generated using pymatgen
data_Li3Ni2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72731041
_cell_length_b   9.26753479
_cell_length_c   5.11540876
_cell_angle_alpha   79.40443095
_cell_angle_beta   69.47005291
_cell_angle_gamma   31.12551615
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ni2OF5
_chemical_formula_sum   'Li6 Ni4 O2 F10'
_cell_volume   216.69121533
_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  0.82314500  0.82314500  0.17685500  1
  Li  Li1  1  0.42027700  0.42027700  0.07972300  1
  Li  Li2  1  0.17685500  0.17685500  0.82314500  1
  Li  Li3  1  0.75000000  0.75000000  0.75000000  1
  Li  Li4  1  0.07972300  0.07972300  0.42027700  1
  Li  Li5  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni6  1  0.92187600  0.92187600  0.57812400  1
  Ni  Ni7  1  0.25000000  0.25000000  0.25000000  1
  Ni  Ni8  1  0.57812400  0.57812400  0.92187600  1
  Ni  Ni9  1  0.00000000  0.00000000  0.00000000  1
  O  O10  1  0.75856900  0.24143100  0.75856900  1
  O  O11  1  0.24143100  0.75856900  0.24143100  1
  F  F12  1  0.06200100  0.60005900  0.40642900  1
  F  F13  1  0.67390200  0.16048800  0.33258800  1
  F  F14  1  0.16048800  0.67390200  0.83302100  1
  F  F15  1  0.40642900  0.93151100  0.06200100  1
  F  F16  1  0.01372700  0.48627300  0.01372700  1
  F  F17  1  0.60005900  0.06200100  0.93151100  1
  F  F18  1  0.93151100  0.40642900  0.60005900  1
  F  F19  1  0.48627300  0.01372700  0.48627300  1
  F  F20  1  0.33258800  0.83302100  0.67390200  1
  F  F21  1  0.83302100  0.33258800  0.16048800  1
