# generated using pymatgen
data_Li3FeNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77855215
_cell_length_b   5.77855215
_cell_length_c   9.42853400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000169
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeNi3O8
_chemical_formula_sum   'Li6 Fe2 Ni6 O16'
_cell_volume   272.65462537
_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  0.83255000  0.16745000  0.55167700  1
  Li  Li1  1  0.83255000  0.66509900  0.55167700  1
  Li  Li2  1  0.33490100  0.16745000  0.55167700  1
  Li  Li3  1  0.66509900  0.83255000  0.05167700  1
  Li  Li4  1  0.16745000  0.33490100  0.05167700  1
  Li  Li5  1  0.16745000  0.83255000  0.05167700  1
  Fe  Fe6  1  0.66666700  0.33333300  0.01388100  1
  Fe  Fe7  1  0.33333300  0.66666700  0.51388100  1
  Ni  Ni8  1  0.83193800  0.16806200  0.28668600  1
  Ni  Ni9  1  0.83193800  0.66387600  0.28668600  1
  Ni  Ni10  1  0.33612400  0.16806200  0.28668600  1
  Ni  Ni11  1  0.66387600  0.83193800  0.78668600  1
  Ni  Ni12  1  0.16806200  0.33612400  0.78668600  1
  Ni  Ni13  1  0.16806200  0.83193800  0.78668600  1
  O  O14  1  0.00000000  0.00000000  0.68760100  1
  O  O15  1  0.00000000  0.00000000  0.18760100  1
  O  O16  1  0.83597700  0.16402300  0.91124500  1
  O  O17  1  0.97011600  0.48505800  0.14693100  1
  O  O18  1  0.83597700  0.67195400  0.91124500  1
  O  O19  1  0.66666700  0.33333300  0.39366600  1
  O  O20  1  0.51494200  0.02988400  0.14693100  1
  O  O21  1  0.51494200  0.48505800  0.14693100  1
  O  O22  1  0.67195400  0.83597700  0.41124500  1
  O  O23  1  0.32804600  0.16402300  0.91124500  1
  O  O24  1  0.48505800  0.51494200  0.64693100  1
  O  O25  1  0.33333300  0.66666700  0.89366600  1
  O  O26  1  0.48505800  0.97011600  0.64693100  1
  O  O27  1  0.16402300  0.32804600  0.41124500  1
  O  O28  1  0.02988400  0.51494200  0.64693100  1
  O  O29  1  0.16402300  0.83597700  0.41124500  1
