data_[Tm8Ni20Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.1043]
_cell_length_b [10.8835]
_cell_length_c [5.5551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tm2Ni5Ge3]
_chemical_formula_sum '[Tm8 Ni20 Ge12]'
_cell_volume [610.8950]
_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  0.2433  0.3736  0.5000  1.0
  Ni  Ni1  8  0.0000  0.2439  0.2500  1.0
  Ni  Ni2  8  0.1445  0.1170  0.5000  1.0
  Ni  Ni3  4  0.0000  0.5000  0.2500  1.0
  Ge  Ge4  8  0.1280  0.3704  0.0000  1.0
  Ge  Ge5  4  0.0000  0.0000  0.2500  1.0
]