data_[Li5Co4B4O12]
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 [P1]
_cell_length_a [5.0500]
_cell_length_b [5.0910]
_cell_length_c [11.6801]
_cell_angle_alpha [87.9498]
_cell_angle_beta [87.4165]
_cell_angle_gamma [60.5416]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li5Co4(BO3)4]
_chemical_formula_sum '[Li5 Co4 B4 O12]'
_cell_volume [261.1690]
_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  0.9793  0.3718  0.7196  1
  Li  Li1  1  0.9822  0.3371  0.1594  1
  Li  Li2  1  0.9878  0.6778  0.3318  1
  Li  Li3  1  0.9938  0.3564  0.5307  1
  Li  Li4  1  0.9939  0.6667  0.9076  1
  Co  Co5  1  0.3366  0.6821  0.0976  1
  Co  Co6  1  0.3431  0.9839  0.3414  1
  Co  Co7  1  0.6570  0.0146  0.6538  1
  Co  Co8  1  0.6585  0.2841  0.9094  1
  B  B9  1  0.3292  0.6814  0.6204  1
  B  B10  1  0.3456  0.9923  0.8793  1
  B  B11  1  0.6582  0.3236  0.3683  1
  B  B12  1  0.6671  0.0033  0.1351  1
  O  O13  1  0.0690  0.6499  0.6243  1
  O  O14  1  0.0866  0.2677  0.8763  1
  O  O15  1  0.3005  0.9690  0.6112  1
  O  O16  1  0.3395  0.7409  0.9272  1
  O  O17  1  0.3882  0.5842  0.3529  1
  O  O18  1  0.3891  0.0114  0.1630  1
  O  O19  1  0.6181  0.4250  0.6284  1
  O  O20  1  0.6242  0.9564  0.8316  1
  O  O21  1  0.6715  0.0491  0.3854  1
  O  O22  1  0.6763  0.2635  0.1068  1
  O  O23  1  0.9313  0.3361  0.3647  1
  O  O24  1  0.9316  0.7284  0.1409  1
]