data_[Tm12B4O24]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.6192]
_cell_length_b [10.8085]
_cell_length_c [5.0942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm3BO6]
_chemical_formula_sum '[Tm12 B4 O24]'
_cell_volume [474.5821]
_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  0.1910  0.1085  0.0249  1.0
  Tm  Tm1  4  0.0000  0.3958  0.0729  1.0
  B  B2  4  0.0000  0.1939  0.4731  1.0
  O  O3  8  0.1401  0.2561  0.3462  1.0
  O  O4  8  0.1605  0.4853  0.7954  1.0
  O  O5  4  0.0000  0.0619  0.3666  1.0
  O  O6  4  0.0000  0.2049  0.7690  1.0
]