data_[Y6Al6C6O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4781]
_cell_length_b [3.4781]
_cell_length_c [31.2020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [YAlCO]
_chemical_formula_sum '[Y6 Al6 C6 O6]'
_cell_volume [326.8832]
_cell_formula_units_Z [6]
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  3  -0.0000  -0.0000  0.5000  1.0
  Y  Y1  3  0.0000  0.0000  0.0000  1.0
  Al  Al2  6  0.0000  0.0000  0.2599  1.0
  C  C3  6  0.0000  0.0000  0.3850  1.0
  O  O4  6  0.0000  0.0000  0.2011  1.0
]