data_[Tm20Al8Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.3115]
_cell_length_b [7.9472]
_cell_length_c [7.8461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tm5(AlSn)2]
_chemical_formula_sum '[Tm20 Al8 Sn8]'
_cell_volume [954.7378]
_cell_formula_units_Z [4]
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  16  0.1350  0.1772  0.3246  1.0
  Tm  Tm1  4  0.0000  0.0000  0.0000  1.0
  Al  Al2  8  0.0000  0.1190  0.6197  1.0
  Sn  Sn3  8  0.2095  0.0000  0.0000  1.0
]