data_[Li3Co3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.4485]
_cell_length_b [5.2073]
_cell_length_c [5.9673]
_cell_angle_alpha [77.5907]
_cell_angle_beta [78.4415]
_cell_angle_gamma [79.9211]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiCo]
_chemical_formula_sum '[Li3 Co3]'
_cell_volume [72.1045]
_cell_formula_units_Z [3]
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  2  0.1815  0.3410  0.1618  1
  Li  Li1  1  0.5000  0.5000  0.5000  1
  Co  Co2  2  0.1529  0.8793  0.1731  1
  Co  Co3  1  0.5000  0.0000  0.5000  1
]