data_[Fe6Te4C18O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7860]
_cell_length_b [9.1617]
_cell_length_c [12.7471]
_cell_angle_alpha [94.9327]
_cell_angle_beta [95.1669]
_cell_angle_gamma [110.4535]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Fe3Te2(CO)9]
_chemical_formula_sum '[Fe6 Te4 C18 O18]'
_cell_volume [733.6359]
_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
[
  Fe  Fe0  2  0.1270  0.8901  0.2472  1
  Fe  Fe1  2  0.2845  0.1895  0.3432  1
  Fe  Fe2  2  0.4321  0.2769  0.1626  1
  Te  Te3  2  0.0473  0.1096  0.1680  1
  Te  Te4  2  0.4897  0.9372  0.7519  1
  C  C5  2  0.0898  0.7830  0.1225  1
  C  C6  2  0.0996  0.2702  0.3847  1
  C  C7  2  0.1363  0.1905  0.7225  1
  C  C8  2  0.2136  0.7668  0.3259  1
  C  C9  2  0.2718  0.0769  0.4478  1
  C  C10  2  0.2946  0.6100  0.8113  1
  C  C11  2  0.3554  0.4405  0.1463  1
  C  C12  2  0.4255  0.2061  0.0315  1
  C  C13  2  0.4943  0.6399  0.6110  1
  O  O14  2  0.0194  0.6767  0.5843  1
  O  O15  2  0.0592  0.7121  0.0388  1
  O  O16  2  0.1142  0.5371  0.7966  1
  O  O17  2  0.2657  0.6836  0.3755  1
  O  O18  2  0.2695  0.0133  0.5234  1
  O  O19  2  0.3095  0.2519  0.7062  1
  O  O20  2  0.3099  0.5485  0.1325  1
  O  O21  2  0.3515  0.5278  0.5748  1
  O  O22  2  0.4201  0.1597  0.9428  1
]