data_[Li4Co2B20]
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
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.5151]
_cell_length_b [11.0508]
_cell_length_c [4.1872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Li2CoB10]
_chemical_formula_sum '[Li4 Co2 B20]'
_cell_volume [255.1923]
_cell_formula_units_Z [2]
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  4  0.2334  0.3770  0.5000  1
  Co  Co1  2  0.0000  0.0000  0.0000  1
  B  B2  8  0.1986  0.1164  0.3046  1
  B  B3  4  0.0206  0.1845  0.0000  1
  B  B4  4  0.1184  0.5460  0.0000  1
  B  B5  4  0.1735  0.7019  0.0000  1
]