data_[Co33W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6103]
_cell_length_b [4.6103]
_cell_length_c [24.9619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Co11W2]
_chemical_formula_sum '[Co33 W6]'
_cell_volume [459.4890]
_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
[
  Co  Co0  18  0.0041  0.5020  0.4096  1
  Co  Co1  6  0.0000  0.0000  0.1653  1
  Co  Co2  6  0.0000  0.0000  0.3457  1
  Co  Co3  3  0.0000  0.0000  0.0000  1
  W  W4  6  0.0000  0.0000  0.4499  1
]