data_[Y12H6C4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1918]
_cell_length_b [10.7324]
_cell_length_c [6.0916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6H3C2N]
_chemical_formula_sum '[Y12 H6 C4 N2]'
_cell_volume [380.9643]
_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  0.2419  0.1654  0.2304  1.0
  Y  Y1  4  0.2453  0.5000  0.2286  1.0
  H  H2  4  0.0000  0.1688  0.5000  1.0
  H  H3  2  0.0000  0.5000  0.5000  1.0
  C  C4  4  0.0000  0.3333  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.0000  1.0
]