data_[Na16Ce8C20O60]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [17.8562]
_cell_length_b [10.5115]
_cell_length_c [6.2891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [Na4Ce2(CO3)5]
_chemical_formula_sum '[Na16 Ce8 C20 O60]'
_cell_volume [1180.4365]
_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
[
  Na  Na0  4  0.0221  0.9966  0.6905  1
  Na  Na1  4  0.0832  0.2360  0.0043  1
  Na  Na2  4  0.2331  0.1978  0.6963  1
  Na  Na3  4  0.2438  0.7686  0.6809  1
  Ce  Ce4  4  0.0795  0.7365  0.0029  1
  Ce  Ce5  4  0.1592  0.4836  0.5024  1
  C  C6  4  0.0017  0.4943  0.6723  1
  C  C7  4  0.0986  0.1900  0.4657  1
  C  C8  4  0.1008  0.7905  0.4678  1
  C  C9  4  0.1699  0.9812  0.0257  1
  C  C10  4  0.1980  0.4864  0.9667  1
  O  O11  4  0.0352  0.3879  0.6269  1
  O  O12  4  0.0360  0.1631  0.3674  1
  O  O13  4  0.0411  0.8244  0.3668  1
  O  O14  4  0.0417  0.5959  0.6881  1
  O  O15  4  0.0703  0.5060  0.1893  1
  O  O16  4  0.0979  0.9795  0.0284  1
  O  O17  4  0.1119  0.1462  0.6501  1
  O  O18  4  0.1150  0.8299  0.6558  1
  O  O19  4  0.1470  0.2643  0.3703  1
  O  O20  4  0.1489  0.7145  0.3719  1
  O  O21  4  0.1835  0.3821  0.8661  1
  O  O22  4  0.1858  0.5954  0.8708  1
  O  O23  4  0.2063  0.8724  0.0221  1
  O  O24  4  0.2081  0.0852  0.0261  1
  O  O25  4  0.2249  0.4856  0.1553  1
]