data_[La2Sm2Nb4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.3941]
_cell_length_b [5.3941]
_cell_length_c [11.5641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [LaSmNb2O8]
_chemical_formula_sum '[La2 Sm2 Nb4 O16]'
_cell_volume [336.4770]
_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
[
  La  La0  2  0.0000  0.5000  0.7500  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb2  2  0.0000  0.0000  0.5000  1.0
  Nb  Nb3  2  0.0000  0.5000  0.2500  1.0
  O  O4  8  0.1602  0.7493  0.1614  1.0
  O  O5  8  0.1700  0.2476  0.5854  1.0
]