data_[Li3Co2Ni1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.8567]
_cell_length_b [2.8567]
_cell_length_c [14.2795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li3Co2NiO6]
_chemical_formula_sum '[Li3 Co2 Ni1 O6]'
_cell_volume [100.9219]
_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  2  0.3333  0.6667  0.1697  1
  Li  Li1  1  0.0000  0.0000  0.5000  1
  Co  Co2  2  0.3333  0.6667  0.6646  1
  Ni  Ni3  1  0.0000  0.0000  0.0000  1
  O  O4  2  0.0000  0.0000  0.2640  1
  O  O5  2  0.3333  0.6667  0.4072  1
  O  O6  2  0.3333  0.6667  0.9226  1
]