data_[Li2Co1Ni1O4]
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-1]
_cell_length_a [2.9780]
_cell_length_b [5.0375]
_cell_length_c [5.0591]
_cell_angle_alpha [108.7427]
_cell_angle_beta [91.0633]
_cell_angle_gamma [90.6968]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2CoNiO4]
_chemical_formula_sum '[Li2 Co1 Ni1 O4]'
_cell_volume [71.8458]
_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  0.5000  0.5000  1
  Li  Li1  1  0.5000  0.0000  0.5000  1
  Co  Co2  1  0.5000  0.5000  0.0000  1
  Ni  Ni3  1  0.0000  0.0000  0.0000  1
  O  O4  2  0.0365  0.2604  0.7603  1
  O  O5  2  0.4913  0.7294  0.7839  1
]