data_[Tm3Th6Al36Co9]
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
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4160]
_cell_length_b [8.4160]
_cell_length_c [18.5606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TmTh2(Al4Co)3]
_chemical_formula_sum '[Tm3 Th6 Al36 Co9]'
_cell_volume [1138.5084]
_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  0.4188  1
  Al  Al2  18  0.0784  0.5392  0.8173  1
  Al  Al3  18  0.0872  0.5436  0.3816  1
  Co  Co4  9  0.0000  0.5000  0.5000  1
]