data_[P2Os12C36Cl2O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.2222]
_cell_length_b [10.4282]
_cell_length_c [17.5357]
_cell_angle_alpha [91.5021]
_cell_angle_beta [90.8712]
_cell_angle_gamma [114.6937]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [POs6C18ClO18]
_chemical_formula_sum '[P2 Os12 C36 Cl2 O36]'
_cell_volume [1531.0611]
_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
[
  P  P0  2  0.1596  0.3022  0.7512  1
  Os  Os1  2  0.0334  0.3299  0.6308  1
  Os  Os2  2  0.0616  0.9106  0.2018  1
  Os  Os3  2  0.1700  0.3608  0.8820  1
  Os  Os4  2  0.1727  0.1250  0.6720  1
  Os  Os5  2  0.2443  0.5504  0.7510  1
  Os  Os6  2  0.4302  0.3752  0.7767  1
  C  C7  2  0.0049  0.9841  0.6119  1
  C  C8  2  0.0092  0.6041  0.0897  1
  C  C9  2  0.0134  0.5122  0.3922  1
  C  C10  2  0.0526  0.9991  0.8468  1
  C  C11  2  0.0719  0.6041  0.7647  1
  C  C12  2  0.1043  0.7956  0.4476  1
  C  C13  2  0.1696  0.2329  0.9582  1
  C  C14  2  0.1925  0.9233  0.1144  1
  C  C15  2  0.1986  0.0872  0.2501  1
  C  C16  2  0.2105  0.3960  0.5666  1
  C  C17  2  0.2559  0.0012  0.7139  1
  C  C18  2  0.3223  0.5127  0.9436  1
  C  C19  2  0.3237  0.1741  0.5922  1
  C  C20  2  0.3449  0.6548  0.6640  1
  C  C21  2  0.3875  0.6992  0.8176  1
  C  C22  2  0.4183  0.4740  0.1616  1
  C  C23  2  0.4343  0.5746  0.3093  1
  C  C24  2  0.4779  0.2376  0.8280  1
  Cl  Cl25  2  0.1914  0.7824  0.2784  1
  O  O26  2  0.0288  0.4138  0.4137  1
  O  O27  2  0.0299  0.3592  0.2262  1
  O  O28  2  0.0988  0.1030  0.4237  1
  O  O29  2  0.1181  0.5811  0.0730  1
  O  O30  2  0.1213  0.9409  0.8757  1
  O  O31  2  0.1674  0.1584  0.0069  1
  O  O32  2  0.1910  0.8675  0.4953  1
  O  O33  2  0.2633  0.9350  0.0592  1
  O  O34  2  0.2789  0.1975  0.2774  1
  O  O35  2  0.3113  0.9265  0.7355  1
  O  O36  2  0.3176  0.4388  0.5261  1
  O  O37  2  0.3213  0.3815  0.1257  1
  O  O38  2  0.3500  0.5413  0.3608  1
  O  O39  2  0.4065  0.7224  0.6123  1
  O  O40  2  0.4125  0.5985  0.9853  1
  O  O41  2  0.4184  0.1980  0.5454  1
  O  O42  2  0.4743  0.7962  0.8545  1
  O  O43  2  0.4873  0.8417  0.1392  1
]