data_[Tm16Tl4Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1157]
_cell_length_b [5.4238]
_cell_length_c [6.8254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Tl2Fe]
_chemical_formula_sum '[Tm16 Tl4 Fe2]'
_cell_volume [584.7441]
_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  0.0110  0.0000  0.7744  1.0
  Tm  Tm1  4  0.0992  0.5000  0.3987  1.0
  Tm  Tm2  4  0.1365  0.5000  0.9140  1.0
  Tm  Tm3  4  0.1946  0.0000  0.2492  1.0
  Tl  Tl4  4  0.1823  0.0000  0.6942  1.0
  Fe  Fe5  2  0.0000  0.5000  0.0000  1.0
]