# generated using pymatgen
data_Li2Co2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83804400
_cell_length_b   5.87933111
_cell_length_c   6.51238653
_cell_angle_alpha   104.81511290
_cell_angle_beta   103.41722144
_cell_angle_gamma   91.17634874
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Co2NiO6
_chemical_formula_sum   'Li4 Co4 Ni2 O12'
_cell_volume   209.44120484
_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  1  0.00000000  0.00000000  0.50000000  1
  Li  Li1  1  0.50000000  0.00000000  0.50000000  1
  Li  Li2  1  0.67808500  0.65273900  0.15889700  1
  Li  Li3  1  0.32191500  0.34726100  0.84110300  1
  Co  Co4  1  0.16937900  0.17451700  0.16360800  1
  Co  Co5  1  0.66530600  0.16904700  0.16195500  1
  Co  Co6  1  0.83062100  0.82548300  0.83639200  1
  Co  Co7  1  0.33469400  0.83095300  0.83804500  1
  Ni  Ni8  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni9  1  0.50000000  0.50000000  0.50000000  1
  O  O10  1  0.25646800  0.25109700  0.47655900  1
  O  O11  1  0.24804900  0.73678900  0.52921300  1
  O  O12  1  0.75195100  0.26321100  0.47078700  1
  O  O13  1  0.74353200  0.74890300  0.52344100  1
  O  O14  1  0.89577100  0.94142300  0.14662100  1
  O  O15  1  0.91448600  0.39777200  0.19164000  1
  O  O16  1  0.42689000  0.94241900  0.14993800  1
  O  O17  1  0.43851000  0.38698900  0.16729600  1
  O  O18  1  0.10422900  0.05857700  0.85337900  1
  O  O19  1  0.57311000  0.05758100  0.85006200  1
  O  O20  1  0.08551400  0.60222800  0.80836000  1
  O  O21  1  0.56149000  0.61301100  0.83270400  1
