The material described by CeLaSi2(BO5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 10-coordinate geometry to one O(16), one O(17), one O(21), one O(23), one O(25), one O(27), one O(3), one O(5), one O(7), and one O(9) atom. In the second Ce site, Ce(2) is bonded in a 10-coordinate geometry to one O(10), one O(15), one O(18), one O(22), one O(24), one O(26), one O(28), one O(4), one O(6), and one O(8) atom. In the third Ce site, Ce(3) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(12), one O(14), one O(17), one O(19), one O(23), one O(28), one O(30), and one O(5) atom. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 10-coordinate geometry to one O(11), one O(13), one O(18), one O(2), one O(20), one O(24), one O(27), one O(29), one O(6), and one O(9) atom. In the second La site, La(2) is bonded in a 10-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(19), one O(21), one O(25), one O(29), one O(3), and one O(7) atom. In the third La site, La(3) is bonded in a 10-coordinate geometry to one O(12), one O(14), one O(16), one O(2), one O(20), one O(22), one O(26), one O(30), one O(4), and one O(8) atom. There are six inequivalent B sites. In the first B site, B(1) is bonded to one O(15), one O(18), one O(21), and one O(27) atom to form BO4 tetrahedra that share  a cornercorner with one B(3)O4 tetrahedra,  a cornercorner with one B(6)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the second B site, B(2) is bonded to one O(16), one O(17), one O(22), and one O(28) atom to form BO4 tetrahedra that share  a cornercorner with one B(4)O4 tetrahedra,  a cornercorner with one B(5)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the third B site, B(3) is bonded to one O(13), one O(18), one O(24), and one O(29) atom to form BO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(6)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the fourth B site, B(4) is bonded to one O(14), one O(17), one O(23), and one O(30) atom to form BO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra,  a cornercorner with one B(5)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the fifth B site, B(5) is bonded to one O(14), one O(16), one O(19), and one O(25) atom to form BO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra,  a cornercorner with one B(4)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. In the sixth B site, B(6) is bonded to one O(13), one O(15), one O(20), and one O(26) atom to form BO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(3)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(23), one O(25), one O(3), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one B(4)O4 tetrahedra and  a cornercorner with one B(5)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(10), one O(24), one O(26), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one B(3)O4 tetrahedra and  a cornercorner with one B(6)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(12), one O(19), one O(28), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra and  a cornercorner with one B(5)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(11), one O(20), one O(27), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra and  a cornercorner with one B(6)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(1), one O(21), one O(29), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra and  a cornercorner with one B(3)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(2), one O(22), one O(30), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra and  a cornercorner with one B(4)O4 tetrahedra. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ce(3), one La(2), and one Si(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one La(3), and one Si(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ce(1), one La(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ce(2), one La(3), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ce(1), one Ce(3), and one Si(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ce(2), one La(1), and one Si(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ce(1), one La(2), and one Si(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ce(2), one La(3), and one Si(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ce(1), one La(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ce(2), one Ce(3), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one La(1), one La(2), and one Si(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ce(3), one La(3), and one Si(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one La(1), one La(2), one B(3), and one B(6) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Ce(3), one La(3), one B(4), and one B(5) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Ce(2), one La(2), one B(1), and one B(6) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one La(3), one B(2), and one B(5) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one Ce(3), one B(2), and one B(4) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one Ce(2), one La(1), one B(1), and one B(3) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Ce(3), one La(2), one B(5), and one Si(3) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one La(1), one La(3), one B(6), and one Si(4) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one La(2), one B(1), and one Si(5) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Ce(2), one La(3), one B(2), and one Si(6) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one Ce(3), one B(4), and one Si(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Ce(2), one La(1), one B(3), and one Si(2) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one La(2), one B(5), and one Si(1) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 120 degrees geometry to one Ce(2), one La(3), one B(6), and one Si(2) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one La(1), one B(1), and one Si(4) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 120 degrees geometry to one Ce(2), one Ce(3), one B(2), and one Si(3) atom. In the twenty-ninth O site, O(29) is bonded in a distorted bent 120 degrees geometry to one La(1), one La(2), one B(3), and one Si(5) atom. In the thirtieth O site, O(30) is bonded in a distorted bent 120 degrees geometry to one Ce(3), one La(3), one B(4), and one Si(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCeSi2(BO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.855
_cell_length_b   6.858
_cell_length_c   11.905
_cell_angle_alpha   89.816
_cell_angle_beta   89.953
_cell_angle_gamma   90.085
_symmetry_Int_Tables_number   1
_cell_volume   559.674
_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
  La  La0  1  0.000  0.402  0.000  1.0
  La  La1  1  0.334  0.799  0.201  1.0
  La  La2  1  0.333  0.299  0.701  1.0
  Ce  Ce3  1  0.667  0.299  0.299  1.0
  Ce  Ce4  1  0.667  0.798  0.798  1.0
  Ce  Ce5  1  0.000  0.903  0.500  1.0
  Si  Si6  1  0.167  0.291  0.291  1.0
  Si  Si7  1  0.166  0.792  0.791  1.0
  Si  Si8  1  0.500  0.918  0.500  1.0
  Si  Si9  1  0.500  0.418  1.000  1.0
  Si  Si10  1  0.833  0.791  0.210  1.0
  Si  Si11  1  0.833  0.290  0.709  1.0
  B  B12  1  0.667  0.054  0.054  1.0
  B  B13  1  0.667  0.554  0.554  1.0
  B  B14  1  1.000  0.892  1.000  1.0
  B  B15  1  1.000  0.392  0.500  1.0
  B  B16  1  0.333  0.554  0.446  1.0
  B  B17  1  0.334  0.054  0.946  1.0
  O  O18  1  0.995  0.837  0.305  1.0
  O  O19  1  0.996  0.337  0.804  1.0
  O  O20  1  0.331  0.127  0.267  1.0
  O  O21  1  0.330  0.627  0.767  1.0
  O  O22  1  0.663  0.038  0.429  1.0
  O  O23  1  0.662  0.538  0.929  1.0
  O  O24  1  0.671  0.624  0.234  1.0
  O  O25  1  0.671  0.124  0.734  1.0
  O  O26  1  0.003  0.337  0.197  1.0
  O  O27  1  0.004  0.837  0.696  1.0
  O  O28  1  0.337  0.537  0.070  1.0
  O  O29  1  0.336  0.036  0.570  1.0
  O  O30  1  0.167  0.019  0.019  1.0
  O  O31  1  0.167  0.519  0.519  1.0
  O  O32  1  0.500  0.962  0.000  1.0
  O  O33  1  0.500  0.462  0.500  1.0
  O  O34  1  0.833  0.519  0.481  1.0
  O  O35  1  0.833  0.019  0.981  1.0
  O  O36  1  0.360  0.769  0.424  1.0
  O  O37  1  0.360  0.269  0.924  1.0
  O  O38  1  0.693  0.980  0.173  1.0
  O  O39  1  0.693  0.479  0.672  1.0
  O  O40  1  0.026  0.251  0.404  1.0
  O  O41  1  0.025  0.752  0.903  1.0
  O  O42  1  0.307  0.480  0.328  1.0
  O  O43  1  0.307  0.980  0.828  1.0
  O  O44  1  0.641  0.269  0.076  1.0
  O  O45  1  0.641  0.769  0.576  1.0
  O  O46  1  0.974  0.752  0.097  1.0
  O  O47  1  0.973  0.251  0.596  1.0
[/CIF]
.
The material described by CeLaSi2(BO5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 10-coordinate geometry to one O(16), one O(17), one O(21), one O(23), one O(25), one O(27), one O(3), one O(5), one O(7), and one O(9) atom. In the second Ce site, Ce(2) is bonded in a 10-coordinate geometry to one O(10), one O(15), one O(18), one O(22), one O(24), one O(26), one O(28), one O(4), one O(6), and one O(8) atom. In the third Ce site, Ce(3) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(12), one O(14), one O(17), one O(19), one O(23), one O(28), one O(30), and one O(5) atom. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 10-coordinate geometry to one O(11), one O(13), one O(18), one O(2), one O(20), one O(24), one O(27), one O(29), one O(6), and one O(9) atom. In the second La site, La(2) is bonded in a 10-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(19), one O(21), one O(25), one O(29), one O(3), and one O(7) atom. In the third La site, La(3) is bonded in a 10-coordinate geometry to one O(12), one O(14), one O(16), one O(2), one O(20), one O(22), one O(26), one O(30), one O(4), and one O(8) atom. There are six inequivalent B sites. In the first B site, B(1) is bonded to one O(15), one O(18), one O(21), and one O(27) atom to form BO4 tetrahedra that share  a cornercorner with one B(3)O4 tetrahedra,  a cornercorner with one B(6)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the second B site, B(2) is bonded to one O(16), one O(17), one O(22), and one O(28) atom to form BO4 tetrahedra that share  a cornercorner with one B(4)O4 tetrahedra,  a cornercorner with one B(5)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the third B site, B(3) is bonded to one O(13), one O(18), one O(24), and one O(29) atom to form BO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(6)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the fourth B site, B(4) is bonded to one O(14), one O(17), one O(23), and one O(30) atom to form BO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra,  a cornercorner with one B(5)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the fifth B site, B(5) is bonded to one O(14), one O(16), one O(19), and one O(25) atom to form BO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra,  a cornercorner with one B(4)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. In the sixth B site, B(6) is bonded to one O(13), one O(15), one O(20), and one O(26) atom to form BO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(3)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(23), one O(25), one O(3), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one B(4)O4 tetrahedra and  a cornercorner with one B(5)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(10), one O(24), one O(26), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one B(3)O4 tetrahedra and  a cornercorner with one B(6)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(12), one O(19), one O(28), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra and  a cornercorner with one B(5)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(11), one O(20), one O(27), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra and  a cornercorner with one B(6)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(1), one O(21), one O(29), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra and  a cornercorner with one B(3)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(2), one O(22), one O(30), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra and  a cornercorner with one B(4)O4 tetrahedra. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ce(3), one La(2), and one Si(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one La(3), and one Si(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ce(1), one La(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ce(2), one La(3), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ce(1), one Ce(3), and one Si(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ce(2), one La(1), and one Si(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ce(1), one La(2), and one Si(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ce(2), one La(3), and one Si(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ce(1), one La(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ce(2), one Ce(3), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one La(1), one La(2), and one Si(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ce(3), one La(3), and one Si(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one La(1), one La(2), one B(3), and one B(6) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Ce(3), one La(3), one B(4), and one B(5) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Ce(2), one La(2), one B(1), and one B(6) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one La(3), one B(2), and one B(5) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one Ce(3), one B(2), and one B(4) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one Ce(2), one La(1), one B(1), and one B(3) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Ce(3), one La(2), one B(5), and one Si(3) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one La(1), one La(3), one B(6), and one Si(4) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one La(2), one B(1), and one Si(5) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Ce(2), one La(3), one B(2), and one Si(6) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one Ce(3), one B(4), and one Si(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Ce(2), one La(1), one B(3), and one Si(2) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one La(2), one B(5), and one Si(1) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 120 degrees geometry to one Ce(2), one La(3), one B(6), and one Si(2) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one La(1), one B(1), and one Si(4) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 120 degrees geometry to one Ce(2), one Ce(3), one B(2), and one Si(3) atom. In the twenty-ninth O site, O(29) is bonded in a distorted bent 120 degrees geometry to one La(1), one La(2), one B(3), and one Si(5) atom. In the thirtieth O site, O(30) is bonded in a distorted bent 120 degrees geometry to one Ce(3), one La(3), one B(4), and one Si(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCeSi2(BO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.855
_cell_length_b   6.858
_cell_length_c   11.905
_cell_angle_alpha   89.816
_cell_angle_beta   89.953
_cell_angle_gamma   90.085
_symmetry_Int_Tables_number   1
_cell_volume   559.674
_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
  La  La0  1  0.000  0.402  0.000  1.0
  La  La1  1  0.334  0.799  0.201  1.0
  La  La2  1  0.333  0.299  0.701  1.0
  Ce  Ce3  1  0.667  0.299  0.299  1.0
  Ce  Ce4  1  0.667  0.798  0.798  1.0
  Ce  Ce5  1  0.000  0.903  0.500  1.0
  Si  Si6  1  0.167  0.291  0.291  1.0
  Si  Si7  1  0.166  0.792  0.791  1.0
  Si  Si8  1  0.500  0.918  0.500  1.0
  Si  Si9  1  0.500  0.418  1.000  1.0
  Si  Si10  1  0.833  0.791  0.210  1.0
  Si  Si11  1  0.833  0.290  0.709  1.0
  B  B12  1  0.667  0.054  0.054  1.0
  B  B13  1  0.667  0.554  0.554  1.0
  B  B14  1  1.000  0.892  1.000  1.0
  B  B15  1  1.000  0.392  0.500  1.0
  B  B16  1  0.333  0.554  0.446  1.0
  B  B17  1  0.334  0.054  0.946  1.0
  O  O18  1  0.995  0.837  0.305  1.0
  O  O19  1  0.996  0.337  0.804  1.0
  O  O20  1  0.331  0.127  0.267  1.0
  O  O21  1  0.330  0.627  0.767  1.0
  O  O22  1  0.663  0.038  0.429  1.0
  O  O23  1  0.662  0.538  0.929  1.0
  O  O24  1  0.671  0.624  0.234  1.0
  O  O25  1  0.671  0.124  0.734  1.0
  O  O26  1  0.003  0.337  0.197  1.0
  O  O27  1  0.004  0.837  0.696  1.0
  O  O28  1  0.337  0.537  0.070  1.0
  O  O29  1  0.336  0.036  0.570  1.0
  O  O30  1  0.167  0.019  0.019  1.0
  O  O31  1  0.167  0.519  0.519  1.0
  O  O32  1  0.500  0.962  0.000  1.0
  O  O33  1  0.500  0.462  0.500  1.0
  O  O34  1  0.833  0.519  0.481  1.0
  O  O35  1  0.833  0.019  0.981  1.0
  O  O36  1  0.360  0.769  0.424  1.0
  O  O37  1  0.360  0.269  0.924  1.0
  O  O38  1  0.693  0.980  0.173  1.0
  O  O39  1  0.693  0.479  0.672  1.0
  O  O40  1  0.026  0.251  0.404  1.0
  O  O41  1  0.025  0.752  0.903  1.0
  O  O42  1  0.307  0.480  0.328  1.0
  O  O43  1  0.307  0.980  0.828  1.0
  O  O44  1  0.641  0.269  0.076  1.0
  O  O45  1  0.641  0.769  0.576  1.0
  O  O46  1  0.974  0.752  0.097  1.0
  O  O47  1  0.973  0.251  0.596  1.0
[/CIF]
.