data_[Rb4Ce4Ir2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ce  1.1200  1.8500  1.0800
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8559]
_cell_length_b [11.4409]
_cell_length_c [8.2557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Ce2IrS6]
_chemical_formula_sum '[Rb4 Ce4 Ir2 S12]'
_cell_volume [620.5930]
_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
[
  Rb  Rb0  4  0.0000  0.1748  0.0000  1.0
  Ce  Ce1  4  0.0000  0.3312  0.5000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2162  0.1479  0.6852  1.0
  S  S4  4  0.2296  0.0000  0.3183  1.0
]