data_[Tm6Ge42Rh18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [7.9195]
_cell_length_b [7.9195]
_cell_length_c [20.7170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [TmGe7Rh3]
_chemical_formula_sum '[Tm6 Ge42 Rh18]'
_cell_volume [1125.2581]
_cell_formula_units_Z [6]
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  0.0000  1
  Ge  Ge1  36  0.0129  0.2104  0.1357  1
  Ge  Ge2  6  0.0000  0.0000  0.2500  1
  Rh  Rh3  18  0.0000  0.3195  0.2500  1
]