data_[Sr9La3Nb9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7346]
_cell_length_b [5.7346]
_cell_length_c [27.7151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Sr3LaNb3O12]
_chemical_formula_sum '[Sr9 La3 Nb9 O36]'
_cell_volume [789.3270]
_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  3  0.0000  0.0000  0.1415  1.0
  Sr  Sr1  3  0.0000  0.0000  0.2853  1.0
  Sr  Sr2  3  0.0000  0.0000  0.8578  1.0
  La  La3  3  0.0000  0.0000  0.7141  1.0
  Nb  Nb4  3  0.0000  0.0000  0.4231  1.0
  Nb  Nb5  3  0.0000  0.0000  0.5760  1.0
  Nb  Nb6  3  0.0000  0.0000  0.9986  1.0
  O  O7  9  0.0038  0.5587  0.2956  1.0
  O  O8  9  0.0958  0.3343  0.0406  1.0
  O  O9  9  0.0962  0.3356  0.2127  1.0
  O  O10  9  0.0985  0.7606  0.4523  1.0
]