data_[Na2Li1Ni3O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  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 [3.0195]
_cell_length_b [6.1945]
_cell_length_c [6.7276]
_cell_angle_alpha [72.2396]
_cell_angle_beta [77.8825]
_cell_angle_gamma [86.3313]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2Li(NiO2)3]
_chemical_formula_sum '[Na2 Li1 Ni3 O6]'
_cell_volume [117.1686]
_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
[
  Na  Na0  2  0.3335  0.1690  0.3310  1.0
  Li  Li1  1  0.0000  0.5000  0.0000  1.0
  Ni  Ni2  2  0.3305  0.6630  0.3321  1.0
  Ni  Ni3  1  0.0000  0.0000  0.0000  1.0
  O  O4  2  0.1251  0.1072  0.6969  1.0
  O  O5  2  0.2058  0.5610  0.6430  1.0
  O  O6  2  0.4504  0.7580  0.0265  1.0
]