data_[Li1Co3]
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 [P2/m]
_cell_length_a [2.4026]
_cell_length_b [4.0036]
_cell_length_c [4.6453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiCo3]
_chemical_formula_sum '[Li1 Co3]'
_cell_volume [44.0597]
_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  0.5000  0.5000  0.0000  1
  Co  Co1  2  0.2490  0.0000  0.2497  1
  Co  Co2  1  0.0000  0.5000  0.5000  1
]