data_[Li3Co3B3O9]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [8.1490]
_cell_length_b [8.1490]
_cell_length_c [3.0916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [LiCoBO3]
_chemical_formula_sum '[Li3 Co3 B3 O9]'
_cell_volume [177.7968]
_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  3  0.3011  0.0207  0.0000  1
  Co  Co1  3  0.0121  0.6385  0.5000  1
  B  B2  1  0.0000  0.0000  0.5000  1
  B  B3  1  0.3333  0.6667  0.0000  1
  B  B4  1  0.6667  0.3333  0.0000  1
  O  O5  3  0.1966  0.0900  0.5000  1
  O  O6  3  0.2174  0.7477  0.0000  1
  O  O7  3  0.5528  0.4155  0.0000  1
]