data_[Cd2Re4C12N24O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Re  1.9000  1.3500  0.7125
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.6896]
_cell_length_b [8.1674]
_cell_length_c [18.5538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CdRe2C6(N6O7)2]
_chemical_formula_sum '[Cd2 Re4 C12 N24 O28]'
_cell_volume [1362.6437]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.0000  1
  Re  Re1  4  0.4177  0.1417  0.3406  1
  C  C2  4  0.0335  0.6454  0.3455  1
  C  C3  4  0.1360  0.6560  0.1023  1
  C  C4  4  0.3105  0.1364  0.0488  1
  N  N5  4  0.0447  0.7256  0.2842  1
  N  N6  4  0.1578  0.7349  0.3655  1
  N  N7  4  0.1835  0.5151  0.1484  1
  N  N8  4  0.2549  0.6552  0.1865  1
  N  N9  4  0.3072  0.2195  0.5094  1
  N  N10  4  0.4369  0.2055  0.0609  1
  O  O11  4  0.0344  0.0585  0.1340  1
  O  O12  4  0.0444  0.7237  0.0349  1
  O  O13  4  0.2484  0.0257  0.0616  1
  O  O14  4  0.2793  0.0074  0.3280  1
  O  O15  4  0.3439  0.1594  0.8149  1
  O  O16  4  0.4292  0.6378  0.0530  1
  O  O17  4  0.4785  0.0792  0.2732  1
]