data_[Tm8H4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.0658]
_cell_length_b [3.8923]
_cell_length_c [6.7677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2HI2]
_chemical_formula_sum '[Tm8 H4 I8]'
_cell_volume [581.0680]
_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  4  0.1901  0.5000  0.4101  1.0
  Tm  Tm1  4  0.1905  0.0000  0.9096  1.0
  H  H2  4  0.2114  0.0000  0.5741  1.0
  I  I3  4  0.0950  0.5000  0.7336  1.0
  I  I4  4  0.0958  0.0000  0.2358  1.0
]