data_[Tm16Al4Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8341]
_cell_length_b [5.2796]
_cell_length_c [6.7220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Al2Fe]
_chemical_formula_sum '[Tm16 Al4 Fe2]'
_cell_volume [551.9001]
_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  0.0104  0.0000  0.7703  1
  Tm  Tm1  4  0.1045  0.5000  0.4022  1
  Tm  Tm2  4  0.1411  0.5000  0.9159  1
  Tm  Tm3  4  0.1966  0.0000  0.2494  1
  Al  Al4  4  0.1814  0.0000  0.6900  1
  Fe  Fe5  2  0.0000  0.5000  0.0000  1
]