data_[Tm9Ni21Ge6]
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 [R-3m]
_cell_length_a [5.1243]
_cell_length_b [5.1243]
_cell_length_c [23.4957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm3Ni7Ge2]
_chemical_formula_sum '[Tm9 Ni21 Ge6]'
_cell_volume [534.3060]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1416  1.0
  Tm  Tm1  3  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  18  0.0012  0.5006  0.0814  1.0
  Ni  Ni3  3  -0.0000  -0.0000  0.5000  1.0
  Ge  Ge4  6  0.0000  0.0000  0.3323  1.0
]