data_[Ba12H2Rh4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8599]
_cell_length_b [13.5898]
_cell_length_c [9.0226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6HRh2I3]
_chemical_formula_sum '[Ba12 H2 Rh4 I6]'
_cell_volume [922.4737]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  8  0.2341  0.1685  0.1971  1.0
  Ba  Ba1  4  0.2282  0.5000  0.1978  1.0
  H  H2  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh3  4  0.0000  0.3335  0.0000  1.0
  I  I4  4  0.0000  0.1680  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]