# generated using pymatgen
data_Li3Fe(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68550973
_cell_length_b   6.68550973
_cell_length_c   5.86465844
_cell_angle_alpha   76.48902906
_cell_angle_beta   76.48902906
_cell_angle_gamma   25.18003512
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe(NiO3)2
_chemical_formula_sum   'Li3 Fe1 Ni2 O6'
_cell_volume   108.28288869
_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  0.50000000  0.50000000  0.50000000  1
  Li  Li1  1  0.16827600  0.16827600  0.17167600  1
  Li  Li2  1  0.83172400  0.83172400  0.82832400  1
  Fe  Fe3  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni4  1  0.83391500  0.83391500  0.33444200  1
  Ni  Ni5  1  0.16608500  0.16608500  0.66555800  1
  O  O6  1  0.66188400  0.66188400  0.89967700  1
  O  O7  1  0.33811600  0.33811600  0.10032300  1
  O  O8  1  0.00065500  0.00065500  0.76306200  1
  O  O9  1  0.32919700  0.32919700  0.56526200  1
  O  O10  1  0.99934500  0.99934500  0.23693800  1
  O  O11  1  0.67080300  0.67080300  0.43473800  1
