# generated using pymatgen
data_Li3Co2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88248030
_cell_length_b   11.72170645
_cell_length_c   6.50175217
_cell_angle_alpha   103.53551924
_cell_angle_beta   77.18664299
_cell_angle_gamma   89.98763419
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Co2NiO6
_chemical_formula_sum   'Li6 Co4 Ni2 O12'
_cell_volume   207.94339092
_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  0.33286000  0.41755000  0.33213300  1
  Li  Li1  1  0.33620100  0.91576900  0.32573900  1
  Li  Li2  1  0.99952900  0.24174500  0.99873300  1
  Li  Li3  1  0.99688400  0.74957300  0.00392000  1
  Li  Li4  1  0.66524500  0.07660400  0.66551000  1
  Li  Li5  1  0.66183400  0.59093700  0.67206700  1
  Co  Co6  1  0.00023700  0.49698400  0.99665800  1
  Co  Co7  1  0.00014700  0.00050900  0.99739900  1
  Co  Co8  1  0.66404100  0.33324000  0.66903800  1
  Co  Co9  1  0.66893900  0.83056700  0.65924000  1
  Ni  Ni10  1  0.33363700  0.66341900  0.33007500  1
  Ni  Ni11  1  0.33267700  0.16544900  0.33154100  1
  O  O12  1  0.49972300  0.11337500  0.99791600  1
  O  O13  1  0.50110100  0.60624500  0.99473400  1
  O  O14  1  0.16230900  0.22608100  0.67186800  1
  O  O15  1  0.16200000  0.71469500  0.67148300  1
  O  O16  1  0.81589900  0.29190400  0.36491600  1
  O  O17  1  0.82389100  0.79021600  0.34928100  1
  O  O18  1  0.84344100  0.04365500  0.30991200  1
  O  O19  1  0.84551300  0.53893300  0.30654200  1
  O  O20  1  0.15889000  0.44345700  0.67959700  1
  O  O21  1  0.15746500  0.95483600  0.68359100  1
  O  O22  1  0.50973600  0.38154300  0.97790000  1
  O  O23  1  0.50524800  0.88710900  0.98775500  1
