data_[Tm12Rh42]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2114]
_cell_length_b [5.2114]
_cell_length_c [39.2954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm2Rh7]
_chemical_formula_sum '[Tm12 Rh42]'
_cell_volume [924.2479]
_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  0.0490  1.0
  Tm  Tm1  6  0.0000  0.0000  0.1470  1.0
  Rh  Rh2  18  0.0013  0.5007  0.8888  1.0
  Rh  Rh3  9  0.0000  0.5000  0.0000  1.0
  Rh  Rh4  6  0.0000  0.0000  0.2774  1.0
  Rh  Rh5  6  0.0000  0.0000  0.3898  1.0
  Rh  Rh6  3  -0.0000  -0.0000  0.5000  1.0
]