data_Li3Co(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   5.77
_cell_angle_alpha   102.82
_cell_angle_beta   102.82
_cell_angle_gamma   24.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Co(NiO3)2
_chemical_formula_sum   'Li3 Co1 Ni2 O6'
_cell_volume   103.22
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.15  0.0  0.83  1.0
  Li  Li2  1  0.46  0.0  0.78  1.0
  Co  Co3  1  0.34  0.0  0.81  1.0
  Ni  Ni4  1  0.49  0.0  0.68  1.0
  Ni  Ni5  1  0.12  0.0  0.93  1.0
  O  O6  1  0.2  0.0  0.35  1.0
  O  O7  1  0.41  0.0  0.27  1.0
  O  O8  1  0.5  0.0  0.07  1.0
  O  O9  1  0.52  0.0  0.25  1.0
  O  O10  1  0.11  0.0  0.55  1.0
  O  O11  1  0.09  0.0  0.37  1.0

data_Li3Co(NiO3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.77
_cell_length_c   6.62
_cell_angle_alpha   102.82
_cell_angle_beta   102.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Co(NiO3)2
_chemical_formula_sum   'Li3 Co1 Ni2 O6'
_cell_volume   103.22
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.78  0.46  1.0
  Li  Li2  1  0.0  0.83  0.15  1.0
  Co  Co3  1  0.0  0.81  0.34  1.0
  Ni  Ni4  1  0.0  0.68  0.49  1.0
  Ni  Ni5  1  0.0  0.93  0.12  1.0
  O  O6  1  0.0  0.07  0.5  1.0
  O  O7  1  0.0  0.25  0.52  1.0
  O  O8  1  0.0  0.27  0.41  1.0
  O  O9  1  0.0  0.35  0.2  1.0
  O  O10  1  0.0  0.37  0.09  1.0
  O  O11  1  0.0  0.55  0.11  1.0

Li Li Li Co Ni Ni O O O O O O
Li Li Li Co Ni Ni O O O O O O 0 5 o o - 1 5 o o o 2 4 o o o 2 3 o o o 6 11 o o o 7 9 o o o 8 9 o o o 10 11 o o o 