data_[Tm9B12Pb3O36]
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
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [10.1757]
_cell_length_b [10.1757]
_cell_length_c [8.4298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Tm3B4PbO12]
_chemical_formula_sum '[Tm9 B12 Pb3 O36]'
_cell_volume [755.9190]
_cell_formula_units_Z [3]
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  9  0.0000  0.5413  0.0000  1.0
  B  B1  9  0.0000  0.4608  0.5000  1.0
  B  B2  3  0.0000  0.0000  0.5000  1.0
  Pb  Pb3  3  0.0000  0.0000  0.0000  1.0
  O  O4  18  0.0090  0.2067  0.1758  1.0
  O  O5  9  0.0000  0.5960  0.5000  1.0
  O  O6  9  0.0000  0.8638  0.5000  1.0
]