data_Li3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   153.08
_cell_angle_beta   62.96
_cell_angle_gamma   124.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Co
_chemical_formula_sum   'Li3 Co1'
_cell_volume   55.06
_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  Li1  1  0.0  0.0  0.53  1.0
  Li  Li2  1  0.23  0.64  0.57  1.0
  Li  Li3  1  0.23  0.36  0.57  1.0
  Co  Co0  1  0.23  0.0  0.1  1.0

data_Li3Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.46
_cell_length_b   4.95
_cell_length_c   5.29
_cell_angle_alpha   117.87
_cell_angle_beta   103.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Co
_chemical_formula_sum   'Li3 Co1'
_cell_volume   55.06
_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  0.47  0.47  1.0
  Li  Li1  1  0.12  0.78  0.55  1.0
  Li  Li2  1  0.41  0.07  0.84  1.0
  Co  Co3  1  0.77  0.9  0.67  1.0

Li Li Li Co
Li Li Li Co 0 2 o o o 1 3 o + + 1 3 o o o 1 2 o o o 2 3 o o o 