data_[Tm16Fe2Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4221]
_cell_length_b [6.8291]
_cell_length_c [15.4587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm8FeSn2]
_chemical_formula_sum '[Tm16 Fe2 Sn4]'
_cell_volume [572.4037]
_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  8  0.0000  0.2403  0.6211  1.0
  Tm  Tm1  4  0.0000  0.0000  0.1923  1.0
  Tm  Tm2  4  0.0000  0.2408  0.0000  1.0
  Fe  Fe3  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn4  4  0.0000  0.5000  0.1855  1.0
]