data_[Tm1Lu1Hf1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Lu  1.2700  1.7500  1.0010
  Hf  1.3000  1.5500  0.8500
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3424]
_cell_length_b [3.3424]
_cell_length_c [8.2934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TmLuHf]
_chemical_formula_sum '[Tm1 Lu1 Hf1]'
_cell_volume [80.2390]
_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  0.0176  1
  Lu  Lu1  1  0.3333  0.6667  0.6487  1
  Hf  Hf2  1  0.6667  0.3333  0.3337  1
]