The material structure described by Sr6Ti3FeO14 crystallizes in the tetragonal P4mm space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(3), and four equivalent O(9) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(10), and four equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(7) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(2), and four equivalent O(8) atoms. In the fifth Sr site, Sr(5) is bonded to four equivalent O(5), four equivalent O(8), and four equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(5)O12 cuboctahedra, faces with four equivalent Sr(5)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. In the sixth Sr site, Sr(6) is bonded to four equivalent O(10), four equivalent O(6), and four equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(6)O12 cuboctahedra, faces with four equivalent Sr(6)O12 cuboctahedra, faces with four equivalent Ti(3)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(5), and four equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Sr(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Ti site, Ti(2) is bonded to one O(3), one O(5), and four equivalent O(9) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Sr(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Ti site, Ti(3) is bonded to one O(4), one O(6), and four equivalent O(10) atoms to form TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra, and faces with four equivalent Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. Fe(1) is bonded to one O(1), one O(6), and four equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Sr(3), and one Fe(1) atom to form distorted OSr5Fe octahedra that share  a cornercorner with one O(6)Sr4TiFe octahedra, corners with four equivalent O(9)Sr4Ti2 octahedra, corners with four equivalent O(1)Sr5Fe octahedra, corners with eight equivalent O(7)Sr4Fe2 octahedra, edges with four equivalent O(1)Sr5Fe octahedra, edges with four equivalent O(3)Sr5Ti octahedra, and faces with four equivalent O(7)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to one Sr(2), four equivalent Sr(4), and one Ti(1) atom to form distorted OSr5Ti octahedra that share  a cornercorner with one O(5)Sr4Ti2 octahedra, corners with four equivalent O(10)Sr4Ti2 octahedra, corners with four equivalent O(2)Sr5Ti octahedra, corners with eight equivalent O(8)Sr4Ti2 octahedra, edges with four equivalent O(2)Sr5Ti octahedra, edges with four equivalent O(4)Sr5Ti octahedra, and faces with four equivalent O(8)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to one Sr(3), four equivalent Sr(1), and one Ti(2) atom to form distorted OSr5Ti octahedra that share  a cornercorner with one O(5)Sr4Ti2 octahedra, corners with four equivalent O(7)Sr4Fe2 octahedra, corners with four equivalent O(3)Sr5Ti octahedra, corners with eight equivalent O(9)Sr4Ti2 octahedra, edges with four equivalent O(1)Sr5Fe octahedra, edges with four equivalent O(3)Sr5Ti octahedra, and faces with four equivalent O(9)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the fourth O site, O(4) is bonded to one Sr(4), four equivalent Sr(2), and one Ti(3) atom to form distorted OSr5Ti octahedra that share  a cornercorner with one O(6)Sr4TiFe octahedra, corners with four equivalent O(8)Sr4Ti2 octahedra, corners with four equivalent O(4)Sr5Ti octahedra, corners with eight equivalent O(10)Sr4Ti2 octahedra, edges with four equivalent O(2)Sr5Ti octahedra, edges with four equivalent O(4)Sr5Ti octahedra, and faces with four equivalent O(10)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the fifth O site, O(5) is bonded to four equivalent Sr(5), one Ti(1), and one Ti(2) atom to form distorted OSr4Ti2 octahedra that share  a cornercorner with one O(2)Sr5Ti octahedra,  a cornercorner with one O(3)Sr5Ti octahedra, corners with four equivalent O(5)Sr4Ti2 octahedra, corners with eight equivalent O(8)Sr4Ti2 octahedra, corners with eight equivalent O(9)Sr4Ti2 octahedra, edges with four equivalent O(5)Sr4Ti2 octahedra, faces with four equivalent O(8)Sr4Ti2 octahedra, and faces with four equivalent O(9)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the sixth O site, O(6) is bonded to four equivalent Sr(6), one Ti(3), and one Fe(1) atom to form distorted OSr4TiFe octahedra that share  a cornercorner with one O(1)Sr5Fe octahedra,  a cornercorner with one O(4)Sr5Ti octahedra, corners with four equivalent O(6)Sr4TiFe octahedra, corners with eight equivalent O(7)Sr4Fe2 octahedra, corners with eight equivalent O(10)Sr4Ti2 octahedra, edges with four equivalent O(6)Sr4TiFe octahedra, faces with four equivalent O(7)Sr4Fe2 octahedra, and faces with four equivalent O(10)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the seventh O site, O(7) is bonded to two equivalent Sr(3), two equivalent Sr(6), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(7)Sr4Fe2 octahedra, corners with two equivalent O(3)Sr5Ti octahedra, corners with four equivalent O(6)Sr4TiFe octahedra, corners with four equivalent O(1)Sr5Fe octahedra, corners with six equivalent O(10)Sr4Ti2 octahedra,  an edgeedge with one O(10)Sr4Ti2 octahedra, edges with two equivalent O(7)Sr4Fe2 octahedra, faces with two equivalent O(6)Sr4TiFe octahedra, faces with two equivalent O(1)Sr5Fe octahedra, and faces with four equivalent O(7)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 2-60°. In the eighth O site, O(8) is bonded to two equivalent Sr(4), two equivalent Sr(5), and two equivalent Ti(1) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(8)Sr4Ti2 octahedra, corners with two equivalent O(4)Sr5Ti octahedra, corners with four equivalent O(5)Sr4Ti2 octahedra, corners with four equivalent O(2)Sr5Ti octahedra, corners with six equivalent O(9)Sr4Ti2 octahedra,  an edgeedge with one O(9)Sr4Ti2 octahedra, edges with two equivalent O(8)Sr4Ti2 octahedra, faces with two equivalent O(5)Sr4Ti2 octahedra, faces with two equivalent O(2)Sr5Ti octahedra, and faces with four equivalent O(8)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(5), and two equivalent Ti(2) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(9)Sr4Ti2 octahedra, corners with two equivalent O(1)Sr5Fe octahedra, corners with four equivalent O(5)Sr4Ti2 octahedra, corners with four equivalent O(3)Sr5Ti octahedra, corners with six equivalent O(8)Sr4Ti2 octahedra,  an edgeedge with one O(8)Sr4Ti2 octahedra, edges with two equivalent O(9)Sr4Ti2 octahedra, faces with two equivalent O(5)Sr4Ti2 octahedra, faces with two equivalent O(3)Sr5Ti octahedra, and faces with four equivalent O(9)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the tenth O site, O(10) is bonded to two equivalent Sr(2), two equivalent Sr(6), and two equivalent Ti(3) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(10)Sr4Ti2 octahedra, corners with two equivalent O(2)Sr5Ti octahedra, corners with four equivalent O(6)Sr4TiFe octahedra, corners with four equivalent O(4)Sr5Ti octahedra, corners with six equivalent O(7)Sr4Fe2 octahedra,  an edgeedge with one O(7)Sr4Fe2 octahedra, edges with two equivalent O(10)Sr4Ti2 octahedra, faces with two equivalent O(6)Sr4TiFe octahedra, faces with two equivalent O(4)Sr5Ti octahedra, and faces with four equivalent O(10)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. is represented by the CIF file [CIF]
data_Sr6Ti3FeO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.937
_cell_length_b   3.937
_cell_length_c   20.437
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.844
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.500  0.500  0.403  1.0
  O  O1  1  0.500  0.500  0.307  1.0
  O  O2  1  0.000  1.000  0.806  1.0
  O  O3  1  0.000  0.000  0.194  1.0
  O  O4  1  0.500  0.500  0.693  1.0
  O  O5  1  0.000  1.000  0.000  1.0
  O  O6  1  0.500  0.500  0.499  1.0
  O  O7  1  0.500  0.000  0.404  1.0
  O  O8  1  0.000  0.500  0.404  1.0
  O  O9  1  1.000  0.500  0.904  1.0
  O  O10  1  0.500  1.000  0.904  1.0
  O  O11  1  1.000  0.500  0.097  1.0
  O  O12  1  0.500  1.000  0.097  1.0
  O  O13  1  0.500  0.000  0.596  1.0
  O  O14  1  1.000  0.500  0.596  1.0
  Sr  Sr15  1  0.500  0.500  0.185  1.0
  Sr  Sr16  1  1.000  0.000  0.684  1.0
  Sr  Sr17  1  0.000  0.000  0.318  1.0
  Sr  Sr18  1  0.500  0.500  0.816  1.0
  Sr  Sr19  1  0.500  0.500  0.000  1.0
  Sr  Sr20  1  1.000  1.000  0.497  1.0
  Ti  Ti21  1  1.000  0.000  0.902  1.0
  Ti  Ti22  1  1.000  0.000  0.098  1.0
  Ti  Ti23  1  0.500  0.500  0.597  1.0
[/CIF]
.
The material structure described by Sr6Ti3FeO14 crystallizes in the tetragonal P4mm space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(3), and four equivalent O(9) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(10), and four equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(7) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(2), and four equivalent O(8) atoms. In the fifth Sr site, Sr(5) is bonded to four equivalent O(5), four equivalent O(8), and four equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(5)O12 cuboctahedra, faces with four equivalent Sr(5)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. In the sixth Sr site, Sr(6) is bonded to four equivalent O(10), four equivalent O(6), and four equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(6)O12 cuboctahedra, faces with four equivalent Sr(6)O12 cuboctahedra, faces with four equivalent Ti(3)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(5), and four equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Sr(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Ti site, Ti(2) is bonded to one O(3), one O(5), and four equivalent O(9) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Sr(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Ti site, Ti(3) is bonded to one O(4), one O(6), and four equivalent O(10) atoms to form TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra, and faces with four equivalent Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. Fe(1) is bonded to one O(1), one O(6), and four equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Sr(3), and one Fe(1) atom to form distorted OSr5Fe octahedra that share  a cornercorner with one O(6)Sr4TiFe octahedra, corners with four equivalent O(9)Sr4Ti2 octahedra, corners with four equivalent O(1)Sr5Fe octahedra, corners with eight equivalent O(7)Sr4Fe2 octahedra, edges with four equivalent O(1)Sr5Fe octahedra, edges with four equivalent O(3)Sr5Ti octahedra, and faces with four equivalent O(7)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to one Sr(2), four equivalent Sr(4), and one Ti(1) atom to form distorted OSr5Ti octahedra that share  a cornercorner with one O(5)Sr4Ti2 octahedra, corners with four equivalent O(10)Sr4Ti2 octahedra, corners with four equivalent O(2)Sr5Ti octahedra, corners with eight equivalent O(8)Sr4Ti2 octahedra, edges with four equivalent O(2)Sr5Ti octahedra, edges with four equivalent O(4)Sr5Ti octahedra, and faces with four equivalent O(8)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to one Sr(3), four equivalent Sr(1), and one Ti(2) atom to form distorted OSr5Ti octahedra that share  a cornercorner with one O(5)Sr4Ti2 octahedra, corners with four equivalent O(7)Sr4Fe2 octahedra, corners with four equivalent O(3)Sr5Ti octahedra, corners with eight equivalent O(9)Sr4Ti2 octahedra, edges with four equivalent O(1)Sr5Fe octahedra, edges with four equivalent O(3)Sr5Ti octahedra, and faces with four equivalent O(9)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the fourth O site, O(4) is bonded to one Sr(4), four equivalent Sr(2), and one Ti(3) atom to form distorted OSr5Ti octahedra that share  a cornercorner with one O(6)Sr4TiFe octahedra, corners with four equivalent O(8)Sr4Ti2 octahedra, corners with four equivalent O(4)Sr5Ti octahedra, corners with eight equivalent O(10)Sr4Ti2 octahedra, edges with four equivalent O(2)Sr5Ti octahedra, edges with four equivalent O(4)Sr5Ti octahedra, and faces with four equivalent O(10)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the fifth O site, O(5) is bonded to four equivalent Sr(5), one Ti(1), and one Ti(2) atom to form distorted OSr4Ti2 octahedra that share  a cornercorner with one O(2)Sr5Ti octahedra,  a cornercorner with one O(3)Sr5Ti octahedra, corners with four equivalent O(5)Sr4Ti2 octahedra, corners with eight equivalent O(8)Sr4Ti2 octahedra, corners with eight equivalent O(9)Sr4Ti2 octahedra, edges with four equivalent O(5)Sr4Ti2 octahedra, faces with four equivalent O(8)Sr4Ti2 octahedra, and faces with four equivalent O(9)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the sixth O site, O(6) is bonded to four equivalent Sr(6), one Ti(3), and one Fe(1) atom to form distorted OSr4TiFe octahedra that share  a cornercorner with one O(1)Sr5Fe octahedra,  a cornercorner with one O(4)Sr5Ti octahedra, corners with four equivalent O(6)Sr4TiFe octahedra, corners with eight equivalent O(7)Sr4Fe2 octahedra, corners with eight equivalent O(10)Sr4Ti2 octahedra, edges with four equivalent O(6)Sr4TiFe octahedra, faces with four equivalent O(7)Sr4Fe2 octahedra, and faces with four equivalent O(10)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the seventh O site, O(7) is bonded to two equivalent Sr(3), two equivalent Sr(6), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(7)Sr4Fe2 octahedra, corners with two equivalent O(3)Sr5Ti octahedra, corners with four equivalent O(6)Sr4TiFe octahedra, corners with four equivalent O(1)Sr5Fe octahedra, corners with six equivalent O(10)Sr4Ti2 octahedra,  an edgeedge with one O(10)Sr4Ti2 octahedra, edges with two equivalent O(7)Sr4Fe2 octahedra, faces with two equivalent O(6)Sr4TiFe octahedra, faces with two equivalent O(1)Sr5Fe octahedra, and faces with four equivalent O(7)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 2-60°. In the eighth O site, O(8) is bonded to two equivalent Sr(4), two equivalent Sr(5), and two equivalent Ti(1) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(8)Sr4Ti2 octahedra, corners with two equivalent O(4)Sr5Ti octahedra, corners with four equivalent O(5)Sr4Ti2 octahedra, corners with four equivalent O(2)Sr5Ti octahedra, corners with six equivalent O(9)Sr4Ti2 octahedra,  an edgeedge with one O(9)Sr4Ti2 octahedra, edges with two equivalent O(8)Sr4Ti2 octahedra, faces with two equivalent O(5)Sr4Ti2 octahedra, faces with two equivalent O(2)Sr5Ti octahedra, and faces with four equivalent O(8)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(5), and two equivalent Ti(2) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(9)Sr4Ti2 octahedra, corners with two equivalent O(1)Sr5Fe octahedra, corners with four equivalent O(5)Sr4Ti2 octahedra, corners with four equivalent O(3)Sr5Ti octahedra, corners with six equivalent O(8)Sr4Ti2 octahedra,  an edgeedge with one O(8)Sr4Ti2 octahedra, edges with two equivalent O(9)Sr4Ti2 octahedra, faces with two equivalent O(5)Sr4Ti2 octahedra, faces with two equivalent O(3)Sr5Ti octahedra, and faces with four equivalent O(9)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the tenth O site, O(10) is bonded to two equivalent Sr(2), two equivalent Sr(6), and two equivalent Ti(3) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(10)Sr4Ti2 octahedra, corners with two equivalent O(2)Sr5Ti octahedra, corners with four equivalent O(6)Sr4TiFe octahedra, corners with four equivalent O(4)Sr5Ti octahedra, corners with six equivalent O(7)Sr4Fe2 octahedra,  an edgeedge with one O(7)Sr4Fe2 octahedra, edges with two equivalent O(10)Sr4Ti2 octahedra, faces with two equivalent O(6)Sr4TiFe octahedra, faces with two equivalent O(4)Sr5Ti octahedra, and faces with four equivalent O(10)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. is represented by the CIF file [CIF]
data_Sr6Ti3FeO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.937
_cell_length_b   3.937
_cell_length_c   20.437
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.844
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.500  0.500  0.403  1.0
  O  O1  1  0.500  0.500  0.307  1.0
  O  O2  1  0.000  1.000  0.806  1.0
  O  O3  1  0.000  0.000  0.194  1.0
  O  O4  1  0.500  0.500  0.693  1.0
  O  O5  1  0.000  1.000  0.000  1.0
  O  O6  1  0.500  0.500  0.499  1.0
  O  O7  1  0.500  0.000  0.404  1.0
  O  O8  1  0.000  0.500  0.404  1.0
  O  O9  1  1.000  0.500  0.904  1.0
  O  O10  1  0.500  1.000  0.904  1.0
  O  O11  1  1.000  0.500  0.097  1.0
  O  O12  1  0.500  1.000  0.097  1.0
  O  O13  1  0.500  0.000  0.596  1.0
  O  O14  1  1.000  0.500  0.596  1.0
  Sr  Sr15  1  0.500  0.500  0.185  1.0
  Sr  Sr16  1  1.000  0.000  0.684  1.0
  Sr  Sr17  1  0.000  0.000  0.318  1.0
  Sr  Sr18  1  0.500  0.500  0.816  1.0
  Sr  Sr19  1  0.500  0.500  0.000  1.0
  Sr  Sr20  1  1.000  1.000  0.497  1.0
  Ti  Ti21  1  1.000  0.000  0.902  1.0
  Ti  Ti22  1  1.000  0.000  0.098  1.0
  Ti  Ti23  1  0.500  0.500  0.597  1.0
[/CIF]
.