data_[Tm1Lu1Al1]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.9951]
_cell_length_b [4.9951]
_cell_length_c [3.4723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TmLuAl]
_chemical_formula_sum '[Tm1 Lu1 Al1]'
_cell_volume [75.0305]
_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  0.3333  0.6667  0.3813  1
  Lu  Lu1  1  0.0000  0.0000  0.9418  1
  Al  Al2  1  0.6667  0.3333  0.6769  1
]