data_[Sr12Rh4S2I6]
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
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6980]
_cell_length_b [13.3435]
_cell_length_c [8.4245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6Rh2SI3]
_chemical_formula_sum '[Sr12 Rh4 S2 I6]'
_cell_volume [823.8906]
_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
[
  Sr  Sr0  8  0.2340  0.1692  0.1936  1
  Sr  Sr1  4  0.2263  0.5000  0.1930  1
  Rh  Rh2  4  0.0000  0.3332  0.0000  1
  S  S3  2  0.0000  0.0000  0.0000  1
  I  I4  4  0.0000  0.1641  0.5000  1
  I  I5  2  0.0000  0.5000  0.5000  1
]