# generated using pymatgen
data_LiCoNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79307696
_cell_length_b   5.79307696
_cell_length_c   5.79307696
_cell_angle_alpha   121.80433035
_cell_angle_beta   120.60699543
_cell_angle_gamma   87.92735842
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoNiO4
_chemical_formula_sum   'Li2 Co2 Ni2 O8'
_cell_volume   134.85125473
_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  0.50000000  0.50000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Co  Co2  1  0.00000000  0.00000000  0.50000000  1
  Co  Co3  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni4  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni5  1  0.50000000  0.00000000  0.50000000  1
  O  O6  1  0.22687900  0.20495000  0.47807100  1
  O  O7  1  0.21781900  0.25145400  0.96636500  1
  O  O8  1  0.77312100  0.25119200  0.97807100  1
  O  O9  1  0.78509000  0.25145400  0.53363500  1
  O  O10  1  0.21491000  0.74854600  0.46636500  1
  O  O11  1  0.22687900  0.74880800  0.02192900  1
  O  O12  1  0.78218100  0.74854600  0.03363500  1
  O  O13  1  0.77312100  0.79505000  0.52192900  1
