data_[Tm3Th12O30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9511]
_cell_length_b [3.9511]
_cell_length_c [47.9368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TmTh4O10]
_chemical_formula_sum '[Tm3 Th12 O30]'
_cell_volume [648.0956]
_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  3  0.0000  0.0000  0.0000  1
  Th  Th1  6  0.0000  0.0000  0.2007  1
  Th  Th2  6  0.0000  0.0000  0.3978  1
  O  O3  6  0.0000  0.0000  0.0479  1
  O  O4  6  0.0000  0.0000  0.1497  1
  O  O5  6  0.0000  0.0000  0.2516  1
  O  O6  6  0.0000  0.0000  0.3476  1
  O  O7  6  0.0000  0.0000  0.4489  1
]