data_[Te8Ru16C44O44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pccn]
_cell_length_a [6.9904]
_cell_length_b [16.5101]
_cell_length_c [18.1645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [56]
_chemical_formula_structural [Te2Ru4(CO)11]
_chemical_formula_sum '[Te8 Ru16 C44 O44]'
_cell_volume [2096.3952]
_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
[
  Te  Te0  8  0.0049  0.7079  0.2645  1
  Ru  Ru1  8  0.1711  0.6652  0.6889  1
  Ru  Ru2  8  0.1734  0.6695  0.8494  1
  C  C3  8  0.0321  0.1691  0.8801  1
  C  C4  8  0.0602  0.1393  0.6066  1
  C  C5  8  0.0884  0.5703  0.7411  1
  C  C6  8  0.1733  0.6129  0.1177  1
  C  C7  8  0.2055  0.5809  0.3952  1
  C  C8  4  0.2500  0.7500  0.4321  1
  O  O9  8  0.0265  0.5053  0.7512  1
  O  O10  8  0.0782  0.5806  0.0744  1
  O  O11  8  0.1316  0.5262  0.4235  1
  O  O12  8  0.1522  0.1715  0.9241  1
  O  O13  8  0.2045  0.1210  0.5794  1
  O  O14  4  0.2500  0.7500  0.4973  1
]