data_[Y8C8I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.1411]
_cell_length_b [4.2138]
_cell_length_c [6.7406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2C2I]
_chemical_formula_sum '[Y8 C8 I4]'
_cell_volume [422.0153]
_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
[
  Y  Y0  8  0.1663  0.3120  0.6501  1.0
  C  C1  8  0.2252  0.1258  0.0258  1.0
  I  I2  4  0.0000  0.2422  0.2500  1.0
]