data_[Y12C2N4O4]
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 [C2/m]
_cell_length_a [6.0637]
_cell_length_b [10.5050]
_cell_length_c [6.0690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6C(NO)2]
_chemical_formula_sum '[Y12 C2 N4 O4]'
_cell_volume [364.0681]
_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  8  0.2391  0.1718  0.7508  1.0
  Y  Y1  4  0.2371  0.0000  0.2534  1.0
  C  C2  2  0.0000  0.0000  0.5000  1.0
  N  N3  4  0.0000  0.1661  0.0000  1.0
  O  O4  4  0.0000  0.3308  0.5000  1.0
]