data_[Y4C2I4]
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/m]
_cell_length_a [6.7190]
_cell_length_b [3.8794]
_cell_length_c [11.6659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2CI2]
_chemical_formula_sum '[Y4 C2 I4]'
_cell_volume [302.7450]
_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  4  0.1850  0.0000  0.6131  1.0
  C  C1  2  0.0000  0.5000  0.5000  1.0
  I  I2  4  0.1178  0.0000  0.1999  1.0
]