data_[Sr4Rh4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3888]
_cell_length_b [4.8198]
_cell_length_c [17.5753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SrRhI]
_chemical_formula_sum '[Sr4 Rh4 I4]'
_cell_volume [371.7703]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.5791  1
  Sr  Sr1  2  0.0000  0.0000  0.8103  1
  Rh  Rh2  2  0.5000  0.0000  0.2806  1
  Rh  Rh3  2  0.5000  0.0000  0.6926  1
  I  I4  2  0.5000  0.0000  0.1325  1
  I  I5  2  0.5000  0.0000  0.4287  1
]