data_[Tm12Si4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.3790]
_cell_length_b [4.0698]
_cell_length_c [11.3499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tm3SiGe2]
_chemical_formula_sum '[Tm12 Si4 Ge8]'
_cell_volume [525.6154]
_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  0.0572  0.2500  0.3781  1
  Tm  Tm1  4  0.1180  0.7500  0.9436  1
  Tm  Tm2  4  0.2135  0.2500  0.7071  1
  Si  Si3  4  0.1299  0.2500  0.1276  1
  Ge  Ge4  4  0.0145  0.7500  0.1957  1
  Ge  Ge5  4  0.1895  0.7500  0.5006  1
]