data_[Ce12Ir4S2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ir  2.2000  1.3500  0.7650
  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 [7.2815]
_cell_length_b [12.6075]
_cell_length_c [8.2132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6Ir2SI3]
_chemical_formula_sum '[Ce12 Ir4 S2 I6]'
_cell_volume [720.3659]
_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
[
  Ce  Ce0  8  0.2332  0.1698  0.1895  1.0
  Ce  Ce1  4  0.2233  0.5000  0.1891  1.0
  Ir  Ir2  4  0.0000  0.3332  0.0000  1.0
  S  S3  2  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.1651  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]