data_[Tm8Fe12Ge20]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.5085]
_cell_length_b [12.0811]
_cell_length_c [5.5692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tm2Fe3Ge5]
_chemical_formula_sum '[Tm8 Fe12 Ge20]'
_cell_volume [639.7587]
_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  8  0.2298  0.3555  0.0000  1.0
  Fe  Fe1  8  0.0891  0.3530  0.5000  1.0
  Fe  Fe2  4  0.0000  0.0000  0.2500  1.0
  Ge  Ge3  8  0.0000  0.2089  0.2500  1.0
  Ge  Ge4  8  0.1794  0.0840  0.0000  1.0
  Ge  Ge5  4  0.0000  0.5000  0.2500  1.0
]