data_[Tm6Sc4Al6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5246]
_cell_length_b [5.0521]
_cell_length_c [20.6647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm3Sc2Al3]
_chemical_formula_sum '[Tm6 Sc4 Al6]'
_cell_volume [367.9605]
_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  4  0.0000  0.0000  0.3764  1
  Tm  Tm1  2  0.0000  0.5000  0.5000  1
  Sc  Sc2  4  0.0000  0.5000  0.2652  1
  Al  Al3  4  0.0000  0.0000  0.1232  1
  Al  Al4  2  0.0000  0.5000  0.0000  1
]