data_[Sr6Nb8O26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9833]
_cell_length_b [3.9833]
_cell_length_c [35.8525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sr3Nb4O13]
_chemical_formula_sum '[Sr6 Nb8 O26]'
_cell_volume [568.8538]
_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
[
  Sr  Sr0  4  0.0000  0.0000  0.3654  1.0
  Sr  Sr1  2  0.0000  0.0000  0.5000  1.0
  Nb  Nb2  4  0.0000  0.0000  0.0601  1.0
  Nb  Nb3  4  0.0000  0.0000  0.1943  1.0
  O  O4  8  0.0000  0.5000  0.0545  1.0
  O  O5  8  0.0000  0.5000  0.1773  1.0
  O  O6  4  0.0000  0.0000  0.1127  1.0
  O  O7  4  0.0000  0.0000  0.2425  1.0
  O  O8  2  0.0000  0.0000  0.0000  1.0
]