data_LiCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   6.1
_cell_angle_alpha   101.11
_cell_angle_beta   101.11
_cell_angle_gamma   28.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo2
_chemical_formula_sum   'Li2 Co4'
_cell_volume   68.09
_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  Li4  1  0.31  0.0  0.1  1.0
  Li  Li5  1  0.87  0.0  0.87  1.0
  Co  Co0  1  0.26  0.0  0.99  1.0
  Co  Co1  1  0.63  0.0  0.1  1.0
  Co  Co2  1  0.93  0.0  0.98  1.0
  Co  Co3  1  0.56  0.0  0.88  1.0

data_LiCo2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.42
_cell_length_b   4.85
_cell_length_c   6.1
_cell_angle_alpha   101.11
_cell_angle_beta   90.0
_cell_angle_gamma   104.46
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiCo2
_chemical_formula_sum   'Li2 Co4'
_cell_volume   68.09
_cell_formula_units_Z   2
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  0.0  0.28  0.88  1.0
  Co  Co1  2  0.0  0.03  0.11  1.0
  Co  Co2  2  0.0  0.34  0.99  1.0

Li Li Co Co Co Co
Li Li Co Co Co Co 0 2 o o - 0 3 o o o 1 4 o o o 1 5 o o o 3 5 o o - 