data_[Ba6Co27O42]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8914]
_cell_length_b [5.8914]
_cell_length_c [29.9532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Co9O14]
_chemical_formula_sum '[Ba6 Co27 O42]'
_cell_volume [900.3386]
_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
[
  Ba  Ba0  6  0.0000  0.0000  0.1152  1
  Co  Co1  9  0.0000  0.5000  0.0000  1
  Co  Co2  6  0.0000  0.0000  0.2334  1
  Co  Co3  6  0.0000  0.0000  0.4136  1
  Co  Co4  3  -0.0000  -0.0000  0.5000  1
  Co  Co5  3  0.0000  0.0000  0.0000  1
  O  O6  18  0.0115  0.5057  0.2954  1
  O  O7  18  0.0228  0.5114  0.1215  1
  O  O8  6  0.0000  0.0000  0.2969  1
]