data_[Cs2Sm4Ir2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4076]
_cell_length_b [7.0900]
_cell_length_c [8.0724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSm2IrO8]
_chemical_formula_sum '[Cs2 Sm4 Ir2 O16]'
_cell_volume [362.7903]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1
  Sm  Sm1  4  0.0539  0.5000  0.7837  1
  Ir  Ir2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.0970  0.1846  0.1732  1
  O  O4  4  0.0000  0.3938  0.5000  1
  O  O5  4  0.2255  0.5000  0.0650  1
]