data_[Tm4Fe4Ge8]
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 [Pnma]
_cell_length_a [6.7702]
_cell_length_b [4.1368]
_cell_length_c [9.9348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmFeGe2]
_chemical_formula_sum '[Tm4 Fe4 Ge8]'
_cell_volume [278.2406]
_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  4  0.1817  0.7500  0.1290  1.0
  Fe  Fe1  4  0.0214  0.2500  0.3899  1.0
  Ge  Ge2  4  0.1260  0.7500  0.8198  1.0
  Ge  Ge3  4  0.1859  0.7500  0.4275  1.0
]