data_[Tl4H12Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0395]
_cell_length_b [5.7023]
_cell_length_c [5.4743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlH3Rh]
_chemical_formula_sum '[Tl4 H12 Rh4]'
_cell_volume [234.1918]
_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
[
  Tl  Tl0  4  0.1657  0.5000  0.3792  1.0
  H  H1  8  0.1322  0.2902  0.9268  1.0
  H  H2  4  0.0246  0.0000  0.1838  1.0
  Rh  Rh3  4  0.1928  0.0000  0.0297  1.0
]