# generated using pymatgen
data_LiCoNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69227522
_cell_length_b   5.69227522
_cell_length_c   5.69227522
_cell_angle_alpha   119.95572684
_cell_angle_beta   119.76858787
_cell_angle_gamma   90.23899282
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoNiO4
_chemical_formula_sum   'Li2 Co2 Ni2 O8'
_cell_volume   130.68960538
_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  0.12918500  0.87918500  0.25000000  1
  Li  Li1  1  0.87081500  0.12081500  0.75000000  1
  Co  Co2  1  0.00000000  0.50000000  0.50000000  1
  Co  Co3  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni4  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni5  1  0.50000000  0.00000000  0.00000000  1
  O  O6  1  0.26551500  0.29209700  0.52658200  1
  O  O7  1  0.26750100  0.73777000  0.52973100  1
  O  O8  1  0.70803800  0.73777000  0.97026900  1
  O  O9  1  0.26551500  0.73893400  0.97341800  1
  O  O10  1  0.73448500  0.26106600  0.02658200  1
  O  O11  1  0.73249900  0.26223000  0.47026900  1
  O  O12  1  0.29196200  0.26223000  0.02973100  1
  O  O13  1  0.73448500  0.70790300  0.47341800  1
