# generated using pymatgen
data_Li3Fe2(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79227363
_cell_length_b   5.79227363
_cell_length_c   5.67868729
_cell_angle_alpha   61.06026693
_cell_angle_beta   61.06026693
_cell_angle_gamma   59.60095363
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2(NiO4)2
_chemical_formula_sum   'Li3 Fe2 Ni2 O8'
_cell_volume   136.40850672
_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  0.00000000  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Li  Li2  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe3  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni5  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni6  1  0.00000000  0.50000000  0.50000000  1
  O  O7  1  0.77322700  0.77322700  0.70569000  1
  O  O8  1  0.21711800  0.77506700  0.25857500  1
  O  O9  1  0.76778300  0.76778300  0.24608700  1
  O  O10  1  0.22493300  0.78288200  0.74142500  1
  O  O11  1  0.77506700  0.21711800  0.25857500  1
  O  O12  1  0.23221700  0.23221700  0.75391300  1
  O  O13  1  0.78288200  0.22493300  0.74142500  1
  O  O14  1  0.22677300  0.22677300  0.29431000  1
