data_[Sr9Nb6O24]
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 [R-3m]
_cell_length_a [6.0424]
_cell_length_b [6.0424]
_cell_length_c [20.1724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr3Nb2O8]
_chemical_formula_sum '[Sr9 Nb6 O24]'
_cell_volume [637.8369]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1934  1.0
  Sr  Sr1  3  0.0000  0.0000  0.0000  1.0
  Nb  Nb2  6  0.0000  0.0000  0.4039  1.0
  O  O3  18  0.0078  0.5039  0.7671  1.0
  O  O4  6  0.0000  0.0000  0.3122  1.0
]