data_[Tm1H12Rh5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8270]
_cell_length_b [5.1084]
_cell_length_c [6.8356]
_cell_angle_alpha [105.8260]
_cell_angle_beta [91.8167]
_cell_angle_gamma [113.8025]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TmH12Rh5]
_chemical_formula_sum '[Tm1 H12 Rh5]'
_cell_volume [146.4349]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1
  H  H1  2  0.0446  0.2298  0.2711  1
  H  H2  2  0.0477  0.6834  0.0166  1
  H  H3  2  0.2900  0.9562  0.3904  1
  H  H4  2  0.3400  0.6974  0.7832  1
  H  H5  2  0.3563  0.1704  0.9285  1
  H  H6  2  0.4160  0.6350  0.2106  1
  Rh  Rh7  2  0.0216  0.5648  0.2497  1
  Rh  Rh8  2  0.3248  0.0085  0.6712  1
  Rh  Rh9  1  0.0000  0.0000  0.0000  1
]