data_[Tl1H1Rh1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2644]
_cell_length_b [6.4127]
_cell_length_c [6.6787]
_cell_angle_alpha [92.8589]
_cell_angle_beta [111.7304]
_cell_angle_gamma [102.6636]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlHRhCl6]
_chemical_formula_sum '[Tl1 H1 Rh1 Cl6]'
_cell_volume [240.6115]
_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
[
  Tl  Tl0  1  0.9009  0.0754  0.9602  1.0
  H  H1  1  0.2304  0.5250  0.3897  1.0
  Rh  Rh2  1  0.6989  0.4865  0.3840  1.0
  Cl  Cl3  1  0.0017  0.3152  0.4301  1.0
  Cl  Cl4  1  0.3943  0.6750  0.3428  1.0
  Cl  Cl5  1  0.4331  0.1999  0.1060  1.0
  Cl  Cl6  1  0.5932  0.2976  0.6346  1.0
  Cl  Cl7  1  0.7706  0.6559  0.1039  1.0
  Cl  Cl8  1  0.9770  0.7694  0.6489  1.0
]