data_[Te8Os24C72O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Os  2.2000  1.3000  0.6730
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [21.4565]
_cell_length_b [14.7419]
_cell_length_c [13.0478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TeOs3(CO)9]
_chemical_formula_sum '[Te8 Os24 C72 O72]'
_cell_volume [3378.0897]
_cell_formula_units_Z [8]
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
[
  Te  Te0  8  0.2174  0.2871  0.1888  1
  Os  Os1  8  0.0724  0.2826  0.1016  1
  Os  Os2  8  0.1430  0.1542  0.0082  1
  Os  Os3  8  0.1840  0.1195  0.2386  1
  C  C4  8  0.0290  0.2386  0.4615  1
  C  C5  8  0.0407  0.3810  0.9917  1
  C  C6  8  0.0808  0.3574  0.2250  1
  C  C7  8  0.0865  0.0459  0.9352  1
  C  C8  8  0.1088  0.2262  0.8595  1
  C  C9  8  0.1318  0.0073  0.2009  1
  C  C10  8  0.2073  0.1380  0.4048  1
  C  C11  8  0.2200  0.4314  0.6946  1
  C  C12  8  0.2286  0.1067  0.0225  1
  O  O13  8  0.0252  0.4388  0.9200  1
  O  O14  8  0.0541  0.0223  0.3930  1
  O  O15  8  0.0906  0.3981  0.3095  1
  O  O16  8  0.0913  0.2246  0.4945  1
  O  O17  8  0.0932  0.2676  0.7713  1
  O  O18  8  0.1003  0.0621  0.6795  1
  O  O19  8  0.1609  0.4607  0.6626  1
  O  O20  8  0.2157  0.4254  0.9579  1
  O  O21  8  0.2279  0.1414  0.5090  1
]