data_[Y2C8N2O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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/c]
_cell_length_a [8.5978]
_cell_length_b [5.6679]
_cell_length_c [12.0808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [YC4NO9]
_chemical_formula_sum '[Y2 C8 N2 O18]'
_cell_volume [497.9447]
_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
[
  Y  Y0  2  0.5000  0.0858  0.2500  1
  C  C1  4  0.0322  0.2168  0.5905  1
  C  C2  4  0.4210  0.0910  0.4775  1
  N  N3  2  0.0000  0.4386  0.2500  1
  O  O4  4  0.1031  0.2809  0.0044  1
  O  O5  4  0.1661  0.1477  0.6853  1
  O  O6  4  0.3574  0.1124  0.5506  1
  O  O7  4  0.3692  0.2001  0.3720  1
  O  O8  2  0.5000  0.4581  0.2500  1
]