data_[Tb2Sm4I2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [Cmmm]
_cell_length_a [7.1922]
_cell_length_b [7.3046]
_cell_length_c [6.9375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TbSm2IO8]
_chemical_formula_sum '[Tb2 Sm4 I2 O16]'
_cell_volume [364.4667]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.5000  1.0
  Sm  Sm1  4  0.0000  0.5000  0.2499  1.0
  I  I2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0000  0.1772  0.2057  1.0
  O  O4  4  0.1938  0.5000  0.5000  1.0
  O  O5  4  0.2367  0.5000  0.0000  1.0
]