data_[Tm2Hf2Th2]
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 [P6_3mc]
_cell_length_a [3.3455]
_cell_length_b [3.3455]
_cell_length_c [17.5432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [TmHfTh]
_chemical_formula_sum '[Tm2 Hf2 Th2]'
_cell_volume [170.0490]
_cell_formula_units_Z [2]
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  2  0.3333  0.6667  0.1516  1
  Hf  Hf1  2  0.0000  0.0000  0.0051  1
  Th  Th2  2  0.3333  0.6667  0.3433  1
]