# generated using pymatgen
data_Li3Co2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41704697
_cell_length_b   2.99446401
_cell_length_c   5.95417456
_cell_angle_alpha   90.91242924
_cell_angle_beta   104.52021455
_cell_angle_gamma   76.42993778
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Co2NiO6
_chemical_formula_sum   'Li3 Co2 Ni1 O6'
_cell_volume   107.55476408
_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  0.00377300  0.99677400  0.49642000  1
  Li  Li1  1  0.33278100  0.33334100  0.83175300  1
  Li  Li2  1  0.66193600  0.66725800  0.16716700  1
  Co  Co3  1  0.99816500  0.00594200  0.99838200  1
  Co  Co4  1  0.66605900  0.65909900  0.66369900  1
  Ni  Ni5  1  0.33224800  0.33241200  0.33066600  1
  O  O6  1  0.01652500  0.49717000  0.24348400  1
  O  O7  1  0.34804800  0.80166800  0.56928200  1
  O  O8  1  0.67858400  0.15802400  0.91163200  1
  O  O9  1  0.31663400  0.86248700  0.09238100  1
  O  O10  1  0.64784800  0.16767300  0.41864000  1
  O  O11  1  0.98617200  0.50687300  0.75088500  1
