The material described by MgCu4Ga2Al2(AsO5)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(18), one O(20), and one O(6) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one Ga(1)O4 tetrahedra,  a cornercorner with one Ga(2)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent Al(2)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra,  a cornercorner with one Cu(4)O5 trigonal bipyramid, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(15), one O(5), one O(7), and one O(9) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one Ga(2)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(2)O4 tetrahedra, corners with two equivalent As(3)O4 tetrahedra, corners with two equivalent Cu(4)O5 trigonal bipyramids, and  an edgeedge with one Cu(3)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded to one O(10), one O(13), one O(16), one O(6), and one O(8) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Ga(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(2)O4 tetrahedra, corners with two equivalent As(4)O4 tetrahedra, corners with two equivalent Cu(3)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O4 tetrahedra, and  an edgeedge with one Cu(4)O5 trigonal bipyramid. In the third Cu site, Cu(3) is bonded to one O(11), one O(13), one O(16), one O(5), and one O(7) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one Ga(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one As(3)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent Cu(2)O5 trigonal bipyramids, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. In the fourth Cu site, Cu(4) is bonded to one O(12), one O(14), one O(15), one O(6), and one O(8) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one Ga(2)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one As(3)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, corners with two equivalent Cu(1)O5 trigonal bipyramids, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(10), one O(11), and one O(19) atom to form GaO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(3)O4 tetrahedra, corners with two equivalent Al(2)O4 tetrahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and  a cornercorner with one Cu(3)O5 trigonal bipyramid. In the second Ga site, Ga(2) is bonded to one O(12), one O(2), one O(20), and one O(9) atom to form GaO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one As(2)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(12), one O(17), one O(3), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(3)O4 tetrahedra, corners with two equivalent Ga(2)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. In the second Al site, Al(2) is bonded to one O(10), one O(11), one O(18), and one O(4) atom to form AlO4 tetrahedra that share  a cornercorner with one As(2)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and  a cornercorner with one Cu(3)O5 trigonal bipyramid. There are four inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(13), one O(17), and one O(5) atom to form AsO4 tetrahedra that share  a cornercorner with one Ga(1)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and corners with two equivalent Cu(3)O5 trigonal bipyramids. In the second As site, As(2) is bonded to one O(14), one O(18), one O(2), and one O(6) atom to form AsO4 tetrahedra that share  a cornercorner with one Ga(2)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and corners with two equivalent Cu(4)O5 trigonal bipyramids. In the third As site, As(3) is bonded to one O(15), one O(19), one O(3), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Ga(1)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid,  a cornercorner with one Cu(4)O5 trigonal bipyramid, and corners with two equivalent Cu(1)O5 trigonal bipyramids. In the fourth As site, As(4) is bonded to one O(16), one O(20), one O(4), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one Ga(2)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid,  a cornercorner with one Cu(4)O5 trigonal bipyramid, and corners with two equivalent Cu(2)O5 trigonal bipyramids. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ga(1) and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ga(2) and one As(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Al(1) and one As(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Al(2) and one As(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(1), one Cu(3), and one As(1) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Cu(2), one Cu(4), and one As(2) atom to form distorted edge-sharing OMgCu2As tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one As(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(4), and one As(4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Cu(1), one Ga(2), and one Al(1) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Cu(2), one Ga(1), and one Al(2) atom to form distorted edge-sharing OMgAlGaCu tetrahedra. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Cu(3), one Ga(1), and one Al(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Cu(4), one Ga(2), and one Al(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(3), and one As(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(4), and one As(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(4), and one As(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Cu(2), one Cu(3), and one As(4) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Al(1) and one As(1) atom. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Mg(1), one Al(2), and one As(2) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Ga(1) and one As(3) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Mg(1), one Ga(2), and one As(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgAl2Ga2Cu4(AsO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   7.647
_cell_length_c   10.503
_cell_angle_alpha   89.935
_cell_angle_beta   89.511
_cell_angle_gamma   102.802
_symmetry_Int_Tables_number   1
_cell_volume   440.889
_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
  Mg  Mg0  1  0.553  0.881  0.970  1.0
  Al  Al1  1  0.448  0.137  0.324  1.0
  Al  Al2  1  0.044  0.875  0.821  1.0
  Ga  Ga3  1  0.542  0.871  0.669  1.0
  Ga  Ga4  1  0.947  0.137  0.185  1.0
  Cu  Cu5  1  0.916  0.469  0.359  1.0
  Cu  Cu6  1  0.583  0.508  0.852  1.0
  Cu  Cu7  1  0.078  0.540  0.647  1.0
  Cu  Cu8  1  0.412  0.466  0.147  1.0
  As  As9  1  0.558  0.279  0.605  1.0
  As  As10  1  0.960  0.732  0.110  1.0
  As  As11  1  0.444  0.730  0.389  1.0
  As  As12  1  0.040  0.269  0.898  1.0
  O  O13  1  0.599  0.114  0.711  1.0
  O  O14  1  0.916  0.892  0.215  1.0
  O  O15  1  0.419  0.904  0.287  1.0
  O  O16  1  0.114  0.110  0.798  1.0
  O  O17  1  0.841  0.378  0.542  1.0
  O  O18  1  0.672  0.664  0.038  1.0
  O  O19  1  0.163  0.640  0.457  1.0
  O  O20  1  0.310  0.375  0.970  1.0
  O  O21  1  0.751  0.238  0.283  1.0
  O  O22  1  0.721  0.810  0.809  1.0
  O  O23  1  0.226  0.776  0.723  1.0
  O  O24  1  0.266  0.225  0.217  1.0
  O  O25  1  0.430  0.435  0.682  1.0
  O  O26  1  0.063  0.563  0.178  1.0
  O  O27  1  0.564  0.573  0.310  1.0
  O  O28  1  0.914  0.427  0.824  1.0
  O  O29  1  0.376  0.172  0.485  1.0
  O  O30  1  0.165  0.834  0.981  1.0
  O  O31  1  0.643  0.822  0.510  1.0
  O  O32  1  0.832  0.127  0.010  1.0
[/CIF]
.
The material described by MgCu4Ga2Al2(AsO5)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(18), one O(20), and one O(6) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one Ga(1)O4 tetrahedra,  a cornercorner with one Ga(2)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent Al(2)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra,  a cornercorner with one Cu(4)O5 trigonal bipyramid, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(15), one O(5), one O(7), and one O(9) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one Ga(2)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(2)O4 tetrahedra, corners with two equivalent As(3)O4 tetrahedra, corners with two equivalent Cu(4)O5 trigonal bipyramids, and  an edgeedge with one Cu(3)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded to one O(10), one O(13), one O(16), one O(6), and one O(8) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Ga(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(2)O4 tetrahedra, corners with two equivalent As(4)O4 tetrahedra, corners with two equivalent Cu(3)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O4 tetrahedra, and  an edgeedge with one Cu(4)O5 trigonal bipyramid. In the third Cu site, Cu(3) is bonded to one O(11), one O(13), one O(16), one O(5), and one O(7) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one Ga(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one As(3)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent Cu(2)O5 trigonal bipyramids, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. In the fourth Cu site, Cu(4) is bonded to one O(12), one O(14), one O(15), one O(6), and one O(8) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one Ga(2)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one As(3)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, corners with two equivalent Cu(1)O5 trigonal bipyramids, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(10), one O(11), and one O(19) atom to form GaO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(3)O4 tetrahedra, corners with two equivalent Al(2)O4 tetrahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and  a cornercorner with one Cu(3)O5 trigonal bipyramid. In the second Ga site, Ga(2) is bonded to one O(12), one O(2), one O(20), and one O(9) atom to form GaO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one As(2)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(12), one O(17), one O(3), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(3)O4 tetrahedra, corners with two equivalent Ga(2)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. In the second Al site, Al(2) is bonded to one O(10), one O(11), one O(18), and one O(4) atom to form AlO4 tetrahedra that share  a cornercorner with one As(2)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and  a cornercorner with one Cu(3)O5 trigonal bipyramid. There are four inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(13), one O(17), and one O(5) atom to form AsO4 tetrahedra that share  a cornercorner with one Ga(1)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and corners with two equivalent Cu(3)O5 trigonal bipyramids. In the second As site, As(2) is bonded to one O(14), one O(18), one O(2), and one O(6) atom to form AsO4 tetrahedra that share  a cornercorner with one Ga(2)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and corners with two equivalent Cu(4)O5 trigonal bipyramids. In the third As site, As(3) is bonded to one O(15), one O(19), one O(3), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Ga(1)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid,  a cornercorner with one Cu(4)O5 trigonal bipyramid, and corners with two equivalent Cu(1)O5 trigonal bipyramids. In the fourth As site, As(4) is bonded to one O(16), one O(20), one O(4), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one Ga(2)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid,  a cornercorner with one Cu(4)O5 trigonal bipyramid, and corners with two equivalent Cu(2)O5 trigonal bipyramids. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ga(1) and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ga(2) and one As(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Al(1) and one As(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Al(2) and one As(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(1), one Cu(3), and one As(1) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Cu(2), one Cu(4), and one As(2) atom to form distorted edge-sharing OMgCu2As tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one As(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(4), and one As(4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Cu(1), one Ga(2), and one Al(1) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Cu(2), one Ga(1), and one Al(2) atom to form distorted edge-sharing OMgAlGaCu tetrahedra. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Cu(3), one Ga(1), and one Al(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Cu(4), one Ga(2), and one Al(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(3), and one As(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(4), and one As(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(4), and one As(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Cu(2), one Cu(3), and one As(4) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Al(1) and one As(1) atom. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Mg(1), one Al(2), and one As(2) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Ga(1) and one As(3) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Mg(1), one Ga(2), and one As(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgAl2Ga2Cu4(AsO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   7.647
_cell_length_c   10.503
_cell_angle_alpha   89.935
_cell_angle_beta   89.511
_cell_angle_gamma   102.802
_symmetry_Int_Tables_number   1
_cell_volume   440.889
_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
  Mg  Mg0  1  0.553  0.881  0.970  1.0
  Al  Al1  1  0.448  0.137  0.324  1.0
  Al  Al2  1  0.044  0.875  0.821  1.0
  Ga  Ga3  1  0.542  0.871  0.669  1.0
  Ga  Ga4  1  0.947  0.137  0.185  1.0
  Cu  Cu5  1  0.916  0.469  0.359  1.0
  Cu  Cu6  1  0.583  0.508  0.852  1.0
  Cu  Cu7  1  0.078  0.540  0.647  1.0
  Cu  Cu8  1  0.412  0.466  0.147  1.0
  As  As9  1  0.558  0.279  0.605  1.0
  As  As10  1  0.960  0.732  0.110  1.0
  As  As11  1  0.444  0.730  0.389  1.0
  As  As12  1  0.040  0.269  0.898  1.0
  O  O13  1  0.599  0.114  0.711  1.0
  O  O14  1  0.916  0.892  0.215  1.0
  O  O15  1  0.419  0.904  0.287  1.0
  O  O16  1  0.114  0.110  0.798  1.0
  O  O17  1  0.841  0.378  0.542  1.0
  O  O18  1  0.672  0.664  0.038  1.0
  O  O19  1  0.163  0.640  0.457  1.0
  O  O20  1  0.310  0.375  0.970  1.0
  O  O21  1  0.751  0.238  0.283  1.0
  O  O22  1  0.721  0.810  0.809  1.0
  O  O23  1  0.226  0.776  0.723  1.0
  O  O24  1  0.266  0.225  0.217  1.0
  O  O25  1  0.430  0.435  0.682  1.0
  O  O26  1  0.063  0.563  0.178  1.0
  O  O27  1  0.564  0.573  0.310  1.0
  O  O28  1  0.914  0.427  0.824  1.0
  O  O29  1  0.376  0.172  0.485  1.0
  O  O30  1  0.165  0.834  0.981  1.0
  O  O31  1  0.643  0.822  0.510  1.0
  O  O32  1  0.832  0.127  0.010  1.0
[/CIF]
.