data_[Tm6Fe4Ge8]
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 [C2/m]
_cell_length_a [10.4012]
_cell_length_b [4.1990]
_cell_length_c [7.9125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3(FeGe2)2]
_chemical_formula_sum '[Tm6 Fe4 Ge8]'
_cell_volume [327.6184]
_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  0.1231  0.5000  0.6926  1.0
  Tm  Tm1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.1833  0.5000  0.3640  1.0
  Ge  Ge3  4  0.0988  0.0000  0.4030  1.0
  Ge  Ge4  4  0.2118  0.5000  0.0826  1.0
]