# generated using pymatgen
data_Li3Co3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64222459
_cell_length_b   5.64222459
_cell_length_c   9.24581500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000693
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Co3NiO8
_chemical_formula_sum   'Li6 Co6 Ni2 O16'
_cell_volume   254.90393486
_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  0.16936600  0.83063400  0.55259400  1.0
  Li  Li1  1  0.16936600  0.33873200  0.55259400  1.0
  Li  Li2  1  0.66126800  0.83063400  0.55259400  1.0
  Li  Li3  1  0.33873200  0.16936600  0.05259400  1.0
  Li  Li4  1  0.83063400  0.66126800  0.05259400  1.0
  Li  Li5  1  0.83063400  0.16936600  0.05259400  1.0
  Co  Co6  1  0.16721500  0.83278500  0.28554000  1.0
  Co  Co7  1  0.16721500  0.33442900  0.28554000  1.0
  Co  Co8  1  0.66557100  0.83278500  0.28554000  1.0
  Co  Co9  1  0.33442900  0.16721500  0.78554000  1.0
  Co  Co10  1  0.83278500  0.66557100  0.78554000  1.0
  Co  Co11  1  0.83278500  0.16721500  0.78554000  1.0
  Ni  Ni12  1  0.33333300  0.66666700  0.00772100  1.0
  Ni  Ni13  1  0.66666700  0.33333300  0.50772100  1.0
  O  O14  1  0.00000000  0.00000000  0.67803500  1.0
  O  O15  1  0.15365700  0.84634300  0.89875800  1.0
  O  O16  1  0.03211800  0.51605900  0.16721400  1.0
  O  O17  1  0.15365700  0.30731400  0.89875800  1.0
  O  O18  1  0.00000000  0.00000000  0.17803500  1.0
  O  O19  1  0.33333300  0.66666700  0.39651600  1.0
  O  O20  1  0.48394100  0.96788200  0.16721400  1.0
  O  O21  1  0.48394100  0.51605900  0.16721400  1.0
  O  O22  1  0.30731400  0.15365700  0.39875800  1.0
  O  O23  1  0.69268600  0.84634300  0.89875800  1.0
  O  O24  1  0.51605900  0.48394100  0.66721400  1.0
  O  O25  1  0.66666700  0.33333300  0.89651600  1.0
  O  O26  1  0.51605900  0.03211800  0.66721400  1.0
  O  O27  1  0.84634300  0.69268600  0.39875800  1.0
  O  O28  1  0.96788200  0.48394100  0.66721400  1.0
  O  O29  1  0.84634300  0.15365700  0.39875800  1.0