data_[Tm8I8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.3580]
_cell_length_b [4.0189]
_cell_length_c [7.6331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmIO]
_chemical_formula_sum '[Tm8 I8 O8]'
_cell_volume [653.7510]
_cell_formula_units_Z [8]
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  0.2004  0.5000  0.1167  1.0
  Tm  Tm1  4  0.2014  0.5000  0.6148  1.0
  I  I2  4  0.0899  0.5000  0.8423  1.0
  I  I3  4  0.1114  0.0000  0.3484  1.0
  O  O4  4  0.2456  0.0000  0.6274  1.0
  O  O5  4  0.2463  0.0000  0.1211  1.0
]