data_[Li3Fe2Ni2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8482]
_cell_length_b [5.8560]
_cell_length_c [5.8855]
_cell_angle_alpha [119.3257]
_cell_angle_beta [119.6055]
_cell_angle_gamma [90.1399]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3Fe2(NiO4)2]
_chemical_formula_sum '[Li3 Fe2 Ni2 O8]'
_cell_volume [144.6281]
_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  0.0000  0.0000  0.5000  1.0
  Li  Li1  1  0.0000  0.5000  0.5000  1.0
  Li  Li2  1  0.5000  0.5000  0.0000  1.0
  Fe  Fe3  1  0.0000  0.0000  0.0000  1.0
  Fe  Fe4  1  0.5000  0.0000  0.0000  1.0
  Ni  Ni5  1  0.5000  0.0000  0.5000  1.0
  Ni  Ni6  1  0.5000  0.5000  0.5000  1.0
  O  O7  2  0.2595  0.2231  0.4785  1.0
  O  O8  2  0.2604  0.7680  0.9855  1.0
  O  O9  2  0.2704  0.2273  0.0043  1.0
  O  O10  2  0.2889  0.7881  0.5493  1.0
]