# generated using pymatgen
data_Li2Fe3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64228214
_cell_length_b   5.64228214
_cell_length_c   5.82960965
_cell_angle_alpha   61.65878400
_cell_angle_beta   61.65878400
_cell_angle_gamma   60.48942245
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe3NiO8
_chemical_formula_sum   'Li2 Fe3 Ni1 O8'
_cell_volume   134.93866936
_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  0.50000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe3  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe4  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1
  O  O6  1  0.76224500  0.27343900  0.20967300  1
  O  O7  1  0.26377800  0.26377800  0.20558500  1
  O  O8  1  0.27343900  0.76224500  0.20967300  1
  O  O9  1  0.76236900  0.76236900  0.20136800  1
  O  O10  1  0.23763100  0.23763100  0.79863200  1
  O  O11  1  0.72656100  0.23775500  0.79032700  1
  O  O12  1  0.73622200  0.73622200  0.79441500  1
  O  O13  1  0.23775500  0.72656100  0.79032700  1
