data_[Tm8C8I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [14.8990]
_cell_length_b [4.1430]
_cell_length_c [6.6006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm2C2I]
_chemical_formula_sum '[Tm8 C8 I4]'
_cell_volume [399.4665]
_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
[
  Tm  Tm0  8  0.1676  0.3173  0.6495  1.0
  C  C1  8  0.2245  0.1221  0.0256  1.0
  I  I2  4  0.0000  0.2472  0.2500  1.0
]