data_Li3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   9.08
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Co
_chemical_formula_sum   'Li12 Co4'
_cell_volume   224.15
_cell_formula_units_Z   4
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  Li4  1  0.21  0.81  0.83  1.0
  Li  Li5  1  0.01  0.27  0.05  1.0
  Li  Li6  1  0.43  0.81  0.52  1.0
  Li  Li7  1  0.23  0.27  0.73  1.0
  Li  Li8  1  0.37  0.97  0.16  1.0
  Li  Li9  1  0.28  0.11  0.95  1.0
  Li  Li10  1  0.15  0.65  0.62  1.0
  Li  Li11  1  0.07  0.43  0.4  1.0
  Li  Li12  1  0.07  0.11  0.4  1.0
  Li  Li13  1  0.15  0.97  0.62  1.0
  Li  Li14  1  0.28  0.43  0.95  1.0
  Li  Li15  1  0.37  0.65  0.16  1.0
  Co  Co0  1  0.33  0.81  0.83  1.0
  Co  Co1  1  0.89  0.27  0.61  1.0
  Co  Co2  1  0.55  0.81  0.95  1.0
  Co  Co3  1  0.11  0.27  0.73  1.0

data_Li3Co
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.44
_cell_length_b   5.56
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li3Co
_chemical_formula_sum   'Li12 Co4'
_cell_volume   224.15
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.29  0.27  0.73  1.0
  Li  Li1  2  0.35  0.62  0.57  1.0
  Li  Li2  2  0.35  0.62  0.89  1.0
  Li  Li3  2  0.43  0.84  0.43  1.0
  Li  Li4  2  0.43  0.84  0.11  1.0
  Li  Li5  2  0.49  0.05  0.27  1.0
  Co  Co6  2  0.17  0.83  0.73  1.0
  Co  Co7  2  0.39  0.95  0.73  1.0

Li Li Li Li Li Li Li Li Li Li Li Li Co Co Co Co