# generated using pymatgen
data_Li3Ni8(OF3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02637622
_cell_length_b   6.02637622
_cell_length_c   10.22651026
_cell_angle_alpha   71.00304308
_cell_angle_beta   71.00304308
_cell_angle_gamma   58.18252645
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ni8(OF3)4
_chemical_formula_sum   'Li3 Ni8 O4 F12'
_cell_volume   292.87529857
_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  0.00000000  0.00000000  0.50000000  1
  Li  Li1  1  0.19253000  0.19253000  0.92491700  1
  Li  Li2  1  0.80747000  0.80747000  0.07508300  1
  Ni  Ni3  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni4  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni5  1  0.75341300  0.26009900  0.74611800  1
  Ni  Ni6  1  0.26009900  0.75341300  0.74611800  1
  Ni  Ni7  1  0.74429600  0.74429600  0.76282200  1
  Ni  Ni8  1  0.25570400  0.25570400  0.23717800  1
  Ni  Ni9  1  0.24658700  0.73990100  0.25388200  1
  Ni  Ni10  1  0.73990100  0.24658700  0.25388200  1
  O  O11  1  0.12241700  0.12241700  0.61258400  1
  O  O12  1  0.64159900  0.64159900  0.63003500  1
  O  O13  1  0.35840100  0.35840100  0.36996500  1
  O  O14  1  0.87758300  0.87758300  0.38741600  1
  F  F15  1  0.64310400  0.11079300  0.63306400  1
  F  F16  1  0.11079300  0.64310400  0.63306400  1
  F  F17  1  0.38642600  0.38642600  0.85921200  1
  F  F18  1  0.87733400  0.87733400  0.86847800  1
  F  F19  1  0.86765400  0.37435600  0.86586200  1
  F  F20  1  0.37435600  0.86765400  0.86586200  1
  F  F21  1  0.13234600  0.62564400  0.13413800  1
  F  F22  1  0.62564400  0.13234600  0.13413800  1
  F  F23  1  0.12266600  0.12266600  0.13152200  1
  F  F24  1  0.61357400  0.61357400  0.14078800  1
  F  F25  1  0.35689600  0.88920700  0.36693600  1
  F  F26  1  0.88920700  0.35689600  0.36693600  1
