data_[Co12B4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pbam]
_cell_length_a [9.3573]
_cell_length_b [12.3535]
_cell_length_c [3.0602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Co3BO5]
_chemical_formula_sum '[Co12 B4 O20]'
_cell_volume [353.7410]
_cell_formula_units_Z [4]
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
[
  Co  Co0  4  0.0050  0.2224  0.0000  1
  Co  Co1  4  0.2409  0.6122  0.5000  1
  Co  Co2  2  0.0000  0.0000  0.5000  1
  Co  Co3  2  0.0000  0.5000  0.0000  1
  B  B4  4  0.2328  0.3608  0.5000  1
  O  O5  4  0.1093  0.6421  0.0000  1
  O  O6  4  0.1191  0.0791  0.0000  1
  O  O7  4  0.1194  0.8598  0.5000  1
  O  O8  4  0.1553  0.4568  0.5000  1
  O  O9  4  0.1587  0.2633  0.5000  1
]