data_[Li6Fe4Ni2O12]
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 [C2/m]
_cell_length_a [13.1404]
_cell_length_b [2.9245]
_cell_length_c [5.9017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Fe2NiO6]
_chemical_formula_sum '[Li6 Fe4 Ni2 O12]'
_cell_volume [220.6651]
_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  4  0.1643  0.0000  0.8343  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Fe  Fe2  4  0.1669  0.0000  0.3278  1.0
  Ni  Ni3  2  0.0000  0.5000  0.0000  1.0
  O  O4  4  0.0045  0.0000  0.2338  1.0
  O  O5  4  0.1646  0.5000  0.0970  1.0
  O  O6  4  0.1698  0.5000  0.5695  1.0
]