data_[Cs1Sm1I2O8]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.2549]
_cell_length_b [6.2549]
_cell_length_c [8.6900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [CsSm(IO4)2]
_chemical_formula_sum '[Cs1 Sm1 I2 O8]'
_cell_volume [294.4349]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Sm  Sm1  1  0.0000  0.0000  0.5000  1
  I  I2  2  0.3333  0.6667  0.7033  1
  O  O3  6  0.0979  0.3279  0.6663  1
  O  O4  2  0.3333  0.6667  0.9092  1
]