data_[Tm8B16H8O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.7514]
_cell_length_b [9.6536]
_cell_length_c [11.1924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TmB2HO5]
_chemical_formula_sum '[Tm8 B16 H8 O40]'
_cell_volume [729.4102]
_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  8  0.2462  0.4217  0.4476  1
  B  B1  8  0.2406  0.1275  0.2740  1
  B  B2  8  0.2487  0.0999  0.8712  1
  H  H3  8  0.1872  0.1762  0.0912  1
  O  O4  8  0.0720  0.4132  0.0725  1
  O  O5  8  0.0858  0.0962  0.9449  1
  O  O6  8  0.2317  0.0166  0.7568  1
  O  O7  8  0.2435  0.2086  0.1697  1
  O  O8  8  0.2483  0.1932  0.3802  1
]