data_[Pr4C10O26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [5.5938]
_cell_length_b [8.7152]
_cell_length_c [12.1322]
_cell_angle_alpha [72.4363]
_cell_angle_beta [77.0144]
_cell_angle_gamma [73.2162]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr2C5O13]
_chemical_formula_sum '[Pr4 C10 O26]'
_cell_volume [533.6982]
_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
[
  Pr  Pr0  2  0.1720  0.1022  0.5798  1
  Pr  Pr1  2  0.3831  0.3238  0.7933  1
  C  C2  2  0.0571  0.5087  0.5498  1
  C  C3  2  0.2147  0.7164  0.7547  1
  C  C4  2  0.2796  0.1331  0.0676  1
  C  C5  2  0.3346  0.9203  0.3392  1
  C  C6  2  0.4236  0.6913  0.6494  1
  O  O7  2  0.0120  0.7779  0.1449  1
  O  O8  2  0.0331  0.6507  0.5613  1
  O  O9  2  0.1038  0.8616  0.7609  1
  O  O10  2  0.1700  0.3737  0.6147  1
  O  O11  2  0.1734  0.5843  0.8278  1
  O  O12  2  0.1952  0.0146  0.4039  1
  O  O13  2  0.2321  0.6657  0.1352  1
  O  O14  2  0.2501  0.8029  0.3276  1
  O  O15  2  0.2520  0.2767  0.0260  1
  O  O16  2  0.3261  0.9882  0.0985  1
  O  O17  2  0.4447  0.0640  0.7159  1
  O  O18  2  0.4600  0.4546  0.3530  1
  O  O19  2  0.4647  0.8211  0.5720  1
]