data_[Ba16Rh4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0657]
_cell_length_b [18.2377]
_cell_length_c [7.9848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4RhI]
_chemical_formula_sum '[Ba16 Rh4 I4]'
_cell_volume [1251.9532]
_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
[
  Ba  Ba0  8  0.1984  0.9418  0.7036  1.0
  Ba  Ba1  8  0.2067  0.1847  0.7274  1.0
  Rh  Rh2  4  0.0000  0.0700  0.7500  1.0
  I  I3  4  0.0000  0.4370  0.2500  1.0
]