data_[Ba4Rh4I4]
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 [Cm]
_cell_length_a [9.1930]
_cell_length_b [8.9419]
_cell_length_c [4.8330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaRhI]
_chemical_formula_sum '[Ba4 Rh4 I4]'
_cell_volume [397.2731]
_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  4  0.1859  0.2652  0.7014  1
  Rh  Rh1  2  0.2377  0.5000  0.2050  1
  Rh  Rh2  2  0.4193  0.5000  0.7027  1
  I  I3  2  0.0226  0.0000  0.2040  1
  I  I4  2  0.4506  0.0000  0.1669  1
]