data_LiCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   4.84
_cell_angle_alpha   95.1
_cell_angle_beta   95.1
_cell_angle_gamma   33.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo
_chemical_formula_sum   'Li2 Co2'
_cell_volume   48.19
_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  Li2  1  0.68  0.0  0.26  1.0
  Li  Li3  1  0.05  0.0  0.56  1.0
  Co  Co0  1  0.86  0.0  0.82  1.0
  Co  Co1  1  0.87  0.0  0.0  1.0

data_LiCo
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.45
_cell_length_b   4.27
_cell_length_c   4.84
_cell_angle_alpha   95.1
_cell_angle_beta   90.0
_cell_angle_gamma   106.65
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiCo
_chemical_formula_sum   'Li2 Co2'
_cell_volume   48.19
_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  0.19  0.65  1.0
  Co  Co1  2  0.0  0.01  0.09  1.0

Li Li Co Co