data_[Tm3Hf3Th6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hf  1.3000  1.5500  0.8500
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4560]
_cell_length_b [3.4560]
_cell_length_c [33.6339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TmHfTh2]
_chemical_formula_sum '[Tm3 Hf3 Th6]'
_cell_volume [347.9090]
_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  0.4982  1
  Th  Th1  3  0.0000  0.0000  0.0804  1
  Th  Th2  3  0.0000  0.0000  0.2531  1
  Hf  Hf3  3  0.0000  0.0000  0.6683  1
]