data_Li2Ti3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   60.28
_cell_angle_beta   60.28
_cell_angle_gamma   60.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ti3CoO8
_chemical_formula_sum   'Li2 Ti3 Co1 O8'
_cell_volume   150.19
_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  0.81  1.0
  Li  Li1  1  0.0  0.0  0.27  1.0
  Ti  Ti2  1  0.53  0.85  0.68  1.0
  Ti  Ti3  1  0.0  0.3  0.68  1.0
  Ti  Ti4  1  0.47  0.85  0.68  1.0
  Co  Co5  1  0.0  0.0  0.71  1.0
  O  O6  1  0.0  0.0  0.78  1.0
  O  O7  1  0.63  0.21  0.68  1.0
  O  O8  1  0.0  0.58  0.68  1.0
  O  O9  1  0.37  0.21  0.68  1.0
  O  O10  1  0.62  0.79  0.92  1.0
  O  O11  1  0.0  0.41  0.92  1.0
  O  O12  1  0.38  0.79  0.92  1.0
  O  O13  1  0.0  0.0  0.75  1.0

data_Li2Ti3CoO8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   60.28
_cell_angle_beta   60.28
_cell_angle_gamma   60.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ti3CoO8
_chemical_formula_sum   'Li2 Ti3 Co1 O8'
_cell_volume   150.19
_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  0.19  1.0
  Li  Li1  1  0.0  0.0  0.73  1.0
  Ti  Ti2  1  0.15  0.47  0.32  1.0
  Ti  Ti3  1  0.15  0.53  0.32  1.0
  Ti  Ti4  1  0.7  0.0  0.32  1.0
  Co  Co5  1  0.0  0.0  0.29  1.0
  O  O6  1  0.0  0.0  0.22  1.0
  O  O7  1  0.0  0.0  0.25  1.0
  O  O8  1  0.21  0.38  0.08  1.0
  O  O9  1  0.21  0.62  0.08  1.0
  O  O10  1  0.42  -0.0  0.32  1.0
  O  O11  1  0.59  0.0  0.08  1.0
  O  O12  1  0.79  0.37  0.32  1.0
  O  O13  1  0.79  0.63  0.32  1.0

Li Li Ti Ti Ti Co O O O O O O O O