data_[Tm1Hf2Sc9]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [10.2885]
_cell_length_b [10.2885]
_cell_length_c [3.2288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [TmHf2Sc9]
_chemical_formula_sum '[Tm1 Hf2 Sc9]'
_cell_volume [295.9947]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Hf  Hf1  2  0.3333  0.6667  0.0000  1.0
  Sc  Sc2  6  0.1810  0.8190  0.5000  1.0
  Sc  Sc3  3  0.0000  0.5000  0.0000  1.0
]