data_[Nd2Sm4I2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [7.2716]
_cell_length_b [7.2886]
_cell_length_c [7.0421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [NdSm2IO8]
_chemical_formula_sum '[Nd2 Sm4 I2 O16]'
_cell_volume [373.2320]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.5000  1.0
  Sm  Sm1  4  0.0000  0.5000  0.2486  1.0
  I  I2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0000  0.1790  0.2005  1.0
  O  O4  4  0.1868  0.5000  0.5000  1.0
  O  O5  4  0.2387  0.5000  0.0000  1.0
]