The compound described by BaMg2V6(Cu4O13)2 crystallizes in the monoclinic Pm space group. Ba(1) is bonded in a 10-coordinate geometry to one O(17), one O(3), two equivalent O(14), two equivalent O(15), two equivalent O(16), and two equivalent O(18) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(11), one O(17), two equivalent O(16), and two equivalent O(19) atoms to form MgO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, corners with two equivalent V(6)O4 tetrahedra, and  an edgeedge with one Cu(5)O5 trigonal bipyramid. In the second Mg site, Mg(2) is bonded to one O(12), one O(18), two equivalent O(15), and two equivalent O(20) atoms to form MgO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra, edges with two equivalent Cu(1)O5 square pyramids, and  an edgeedge with one Cu(6)O5 trigonal bipyramid. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(17), one O(5), and two equivalent O(13) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid,  a cornercorner with one Cu(5)O5 trigonal bipyramid, and corners with two equivalent Cu(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the second V site, V(2) is bonded to one O(18), one O(6), and two equivalent O(14) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(2)O6 octahedra, corners with two equivalent Cu(1)O5 square pyramids,  a cornercorner with one Cu(4)O5 trigonal bipyramid,  a cornercorner with one Cu(6)O5 trigonal bipyramid, and corners with two equivalent Cu(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 42°. In the third V site, V(3) is bonded to one O(11), one O(9), and two equivalent O(15) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, and corners with two equivalent Cu(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 47-67°. In the fourth V site, V(4) is bonded to one O(10), one O(12), and two equivalent O(16) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with two equivalent Cu(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 49-69°. In the fifth V site, V(5) is bonded to one O(3), one O(7), and two equivalent O(20) atoms to form VO4 tetrahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Cu(1)O5 square pyramids,  a cornercorner with one Cu(3)O5 trigonal bipyramid,  a cornercorner with one Cu(5)O5 trigonal bipyramid, and corners with two equivalent Cu(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 35°. In the sixth V site, V(6) is bonded to one O(4), one O(8), and two equivalent O(19) atoms to form VO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one Cu(4)O5 trigonal bipyramid,  a cornercorner with one Cu(6)O5 trigonal bipyramid, and corners with two equivalent Cu(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(12), one O(14), one O(20), and one O(9) atom to form distorted CuO5 square pyramids that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra,  a cornercorner with one Cu(5)O5 trigonal bipyramid,  a cornercorner with one Cu(6)O5 trigonal bipyramid,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Cu(1)O5 square pyramid, and  an edgeedge with one Cu(3)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(13), one O(19), and one O(2) atom. In the third Cu site, Cu(3) is bonded to one O(1), one O(3), one O(5), and two equivalent O(14) atoms to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, edges with two equivalent Cu(1)O5 square pyramids, and  an edgeedge with one Cu(5)O5 trigonal bipyramid. In the fourth Cu site, Cu(4) is bonded to one O(2), one O(4), one O(6), and two equivalent O(13) atoms to form CuO5 trigonal bipyramids that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(6)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and  an edgeedge with one Cu(6)O5 trigonal bipyramid. In the fifth Cu site, Cu(5) is bonded to one O(1), one O(5), one O(7), and two equivalent O(19) atoms to form CuO5 trigonal bipyramids that share corners with two equivalent Cu(1)O5 square pyramids,  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra, corners with two equivalent V(6)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Cu(3)O5 trigonal bipyramid. In the sixth Cu site, Cu(6) is bonded to one O(2), one O(6), one O(8), and two equivalent O(20) atoms to form CuO5 trigonal bipyramids that share corners with two equivalent Cu(1)O5 square pyramids,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(6)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, and  an edgeedge with one Cu(4)O5 trigonal bipyramid. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Cu(3), one Cu(5), and two equivalent Cu(1) atoms to form distorted corner-sharing OCu4 trigonal pyramids. In the second O site, O(2) is bonded to one Cu(4), one Cu(6), and two equivalent Cu(2) atoms to form distorted corner-sharing OCu4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one V(5), and one Cu(3) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(6) and one Cu(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one Cu(3), and one Cu(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one Cu(4), and one Cu(6) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one V(5) and one Cu(5) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(6) and one Cu(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(3) and two equivalent Cu(1) atoms. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(4) and two equivalent Cu(2) atoms. In the eleventh O site, O(11) is bonded to one Mg(1), one V(3), and two equivalent Cu(2) atoms to form OMgVCu2 tetrahedra that share corners with two equivalent O(2)Cu4 trigonal pyramids and edges with two equivalent O(19)MgVCu2 tetrahedra. In the twelfth O site, O(12) is bonded to one Mg(2), one V(4), and two equivalent Cu(1) atoms to form OMgVCu2 tetrahedra that share corners with two equivalent O(1)Cu4 trigonal pyramids and edges with two equivalent O(20)MgVCu2 tetrahedra. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one V(1), one Cu(2), and one Cu(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ba(1), one V(2), one Cu(1), and one Cu(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(2), and one V(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one V(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one V(1) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one Mg(2), and one V(2) atom. In the nineteenth O site, O(19) is bonded to one Mg(1), one V(6), one Cu(2), and one Cu(5) atom to form distorted OMgVCu2 tetrahedra that share  a cornercorner with one O(19)MgVCu2 tetrahedra,  a cornercorner with one O(1)Cu4 trigonal pyramid,  a cornercorner with one O(2)Cu4 trigonal pyramid,  an edgeedge with one O(11)MgVCu2 tetrahedra, and  an edgeedge with one O(19)MgVCu2 tetrahedra. In the twentieth O site, O(20) is bonded to one Mg(2), one V(5), one Cu(1), and one Cu(6) atom to form distorted OMgVCu2 tetrahedra that share  a cornercorner with one O(20)MgVCu2 tetrahedra,  a cornercorner with one O(1)Cu4 trigonal pyramid,  a cornercorner with one O(2)Cu4 trigonal pyramid,  an edgeedge with one O(12)MgVCu2 tetrahedra, and  an edgeedge with one O(20)MgVCu2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMg2V6(Cu4O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.080
_cell_length_b   8.410
_cell_length_c   10.893
_cell_angle_alpha   81.855
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.363
_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
  Ba  Ba0  1  0.000  0.486  0.912  1.0
  Mg  Mg1  1  0.000  0.190  0.151  1.0
  Mg  Mg2  1  0.500  0.803  0.866  1.0
  V  V3  1  0.000  0.531  0.288  1.0
  V  V4  1  0.500  0.469  0.708  1.0
  V  V5  1  0.000  0.872  0.998  1.0
  V  V6  1  0.500  0.138  0.002  1.0
  V  V7  1  0.000  0.821  0.626  1.0
  V  V8  1  0.500  0.181  0.373  1.0
  Cu  Cu9  1  0.750  0.105  0.730  1.0
  Cu  Cu10  1  0.250  0.894  0.271  1.0
  Cu  Cu11  1  0.750  0.894  0.271  1.0
  Cu  Cu12  1  0.250  0.105  0.730  1.0
  Cu  Cu13  1  0.000  0.398  0.601  1.0
  Cu  Cu14  1  0.500  0.602  0.388  1.0
  Cu  Cu15  1  0.000  0.143  0.441  1.0
  Cu  Cu16  1  0.500  0.856  0.558  1.0
  O  O17  1  0.000  0.157  0.620  1.0
  O  O18  1  0.500  0.842  0.378  1.0
  O  O19  1  0.000  0.617  0.633  1.0
  O  O20  1  0.500  0.381  0.376  1.0
  O  O21  1  0.000  0.382  0.423  1.0
  O  O22  1  0.500  0.615  0.574  1.0
  O  O23  1  0.000  0.908  0.471  1.0
  O  O24  1  0.500  0.092  0.527  1.0
  O  O25  1  0.000  0.035  0.888  1.0
  O  O26  1  0.500  0.972  0.109  1.0
  O  O27  1  0.000  0.939  0.159  1.0
  O  O28  1  0.500  0.060  0.843  1.0
  O  O29  1  0.772  0.661  0.281  1.0
  O  O30  1  0.264  0.342  0.724  1.0
  O  O31  1  0.736  0.342  0.724  1.0
  O  O32  1  0.228  0.661  0.281  1.0
  O  O33  1  0.776  0.756  0.970  1.0
  O  O34  1  0.261  0.242  0.024  1.0
  O  O35  1  0.739  0.242  0.024  1.0
  O  O36  1  0.224  0.756  0.970  1.0
  O  O37  1  0.000  0.429  0.164  1.0
  O  O38  1  0.500  0.571  0.832  1.0
  O  O39  1  0.753  0.124  0.300  1.0
  O  O40  1  0.250  0.876  0.700  1.0
  O  O41  1  0.750  0.876  0.700  1.0
  O  O42  1  0.247  0.124  0.300  1.0
[/CIF]
.
The compound described by BaMg2V6(Cu4O13)2 crystallizes in the monoclinic Pm space group. Ba(1) is bonded in a 10-coordinate geometry to one O(17), one O(3), two equivalent O(14), two equivalent O(15), two equivalent O(16), and two equivalent O(18) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(11), one O(17), two equivalent O(16), and two equivalent O(19) atoms to form MgO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, corners with two equivalent V(6)O4 tetrahedra, and  an edgeedge with one Cu(5)O5 trigonal bipyramid. In the second Mg site, Mg(2) is bonded to one O(12), one O(18), two equivalent O(15), and two equivalent O(20) atoms to form MgO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra, edges with two equivalent Cu(1)O5 square pyramids, and  an edgeedge with one Cu(6)O5 trigonal bipyramid. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(17), one O(5), and two equivalent O(13) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid,  a cornercorner with one Cu(5)O5 trigonal bipyramid, and corners with two equivalent Cu(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the second V site, V(2) is bonded to one O(18), one O(6), and two equivalent O(14) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(2)O6 octahedra, corners with two equivalent Cu(1)O5 square pyramids,  a cornercorner with one Cu(4)O5 trigonal bipyramid,  a cornercorner with one Cu(6)O5 trigonal bipyramid, and corners with two equivalent Cu(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 42°. In the third V site, V(3) is bonded to one O(11), one O(9), and two equivalent O(15) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, and corners with two equivalent Cu(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 47-67°. In the fourth V site, V(4) is bonded to one O(10), one O(12), and two equivalent O(16) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with two equivalent Cu(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 49-69°. In the fifth V site, V(5) is bonded to one O(3), one O(7), and two equivalent O(20) atoms to form VO4 tetrahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Cu(1)O5 square pyramids,  a cornercorner with one Cu(3)O5 trigonal bipyramid,  a cornercorner with one Cu(5)O5 trigonal bipyramid, and corners with two equivalent Cu(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 35°. In the sixth V site, V(6) is bonded to one O(4), one O(8), and two equivalent O(19) atoms to form VO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one Cu(4)O5 trigonal bipyramid,  a cornercorner with one Cu(6)O5 trigonal bipyramid, and corners with two equivalent Cu(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(12), one O(14), one O(20), and one O(9) atom to form distorted CuO5 square pyramids that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra,  a cornercorner with one Cu(5)O5 trigonal bipyramid,  a cornercorner with one Cu(6)O5 trigonal bipyramid,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Cu(1)O5 square pyramid, and  an edgeedge with one Cu(3)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(13), one O(19), and one O(2) atom. In the third Cu site, Cu(3) is bonded to one O(1), one O(3), one O(5), and two equivalent O(14) atoms to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, edges with two equivalent Cu(1)O5 square pyramids, and  an edgeedge with one Cu(5)O5 trigonal bipyramid. In the fourth Cu site, Cu(4) is bonded to one O(2), one O(4), one O(6), and two equivalent O(13) atoms to form CuO5 trigonal bipyramids that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(6)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and  an edgeedge with one Cu(6)O5 trigonal bipyramid. In the fifth Cu site, Cu(5) is bonded to one O(1), one O(5), one O(7), and two equivalent O(19) atoms to form CuO5 trigonal bipyramids that share corners with two equivalent Cu(1)O5 square pyramids,  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra, corners with two equivalent V(6)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Cu(3)O5 trigonal bipyramid. In the sixth Cu site, Cu(6) is bonded to one O(2), one O(6), one O(8), and two equivalent O(20) atoms to form CuO5 trigonal bipyramids that share corners with two equivalent Cu(1)O5 square pyramids,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(6)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, and  an edgeedge with one Cu(4)O5 trigonal bipyramid. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Cu(3), one Cu(5), and two equivalent Cu(1) atoms to form distorted corner-sharing OCu4 trigonal pyramids. In the second O site, O(2) is bonded to one Cu(4), one Cu(6), and two equivalent Cu(2) atoms to form distorted corner-sharing OCu4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one V(5), and one Cu(3) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(6) and one Cu(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one Cu(3), and one Cu(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one Cu(4), and one Cu(6) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one V(5) and one Cu(5) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(6) and one Cu(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(3) and two equivalent Cu(1) atoms. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(4) and two equivalent Cu(2) atoms. In the eleventh O site, O(11) is bonded to one Mg(1), one V(3), and two equivalent Cu(2) atoms to form OMgVCu2 tetrahedra that share corners with two equivalent O(2)Cu4 trigonal pyramids and edges with two equivalent O(19)MgVCu2 tetrahedra. In the twelfth O site, O(12) is bonded to one Mg(2), one V(4), and two equivalent Cu(1) atoms to form OMgVCu2 tetrahedra that share corners with two equivalent O(1)Cu4 trigonal pyramids and edges with two equivalent O(20)MgVCu2 tetrahedra. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one V(1), one Cu(2), and one Cu(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ba(1), one V(2), one Cu(1), and one Cu(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(2), and one V(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one V(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one V(1) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one Mg(2), and one V(2) atom. In the nineteenth O site, O(19) is bonded to one Mg(1), one V(6), one Cu(2), and one Cu(5) atom to form distorted OMgVCu2 tetrahedra that share  a cornercorner with one O(19)MgVCu2 tetrahedra,  a cornercorner with one O(1)Cu4 trigonal pyramid,  a cornercorner with one O(2)Cu4 trigonal pyramid,  an edgeedge with one O(11)MgVCu2 tetrahedra, and  an edgeedge with one O(19)MgVCu2 tetrahedra. In the twentieth O site, O(20) is bonded to one Mg(2), one V(5), one Cu(1), and one Cu(6) atom to form distorted OMgVCu2 tetrahedra that share  a cornercorner with one O(20)MgVCu2 tetrahedra,  a cornercorner with one O(1)Cu4 trigonal pyramid,  a cornercorner with one O(2)Cu4 trigonal pyramid,  an edgeedge with one O(12)MgVCu2 tetrahedra, and  an edgeedge with one O(20)MgVCu2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMg2V6(Cu4O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.080
_cell_length_b   8.410
_cell_length_c   10.893
_cell_angle_alpha   81.855
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.363
_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
  Ba  Ba0  1  0.000  0.486  0.912  1.0
  Mg  Mg1  1  0.000  0.190  0.151  1.0
  Mg  Mg2  1  0.500  0.803  0.866  1.0
  V  V3  1  0.000  0.531  0.288  1.0
  V  V4  1  0.500  0.469  0.708  1.0
  V  V5  1  0.000  0.872  0.998  1.0
  V  V6  1  0.500  0.138  0.002  1.0
  V  V7  1  0.000  0.821  0.626  1.0
  V  V8  1  0.500  0.181  0.373  1.0
  Cu  Cu9  1  0.750  0.105  0.730  1.0
  Cu  Cu10  1  0.250  0.894  0.271  1.0
  Cu  Cu11  1  0.750  0.894  0.271  1.0
  Cu  Cu12  1  0.250  0.105  0.730  1.0
  Cu  Cu13  1  0.000  0.398  0.601  1.0
  Cu  Cu14  1  0.500  0.602  0.388  1.0
  Cu  Cu15  1  0.000  0.143  0.441  1.0
  Cu  Cu16  1  0.500  0.856  0.558  1.0
  O  O17  1  0.000  0.157  0.620  1.0
  O  O18  1  0.500  0.842  0.378  1.0
  O  O19  1  0.000  0.617  0.633  1.0
  O  O20  1  0.500  0.381  0.376  1.0
  O  O21  1  0.000  0.382  0.423  1.0
  O  O22  1  0.500  0.615  0.574  1.0
  O  O23  1  0.000  0.908  0.471  1.0
  O  O24  1  0.500  0.092  0.527  1.0
  O  O25  1  0.000  0.035  0.888  1.0
  O  O26  1  0.500  0.972  0.109  1.0
  O  O27  1  0.000  0.939  0.159  1.0
  O  O28  1  0.500  0.060  0.843  1.0
  O  O29  1  0.772  0.661  0.281  1.0
  O  O30  1  0.264  0.342  0.724  1.0
  O  O31  1  0.736  0.342  0.724  1.0
  O  O32  1  0.228  0.661  0.281  1.0
  O  O33  1  0.776  0.756  0.970  1.0
  O  O34  1  0.261  0.242  0.024  1.0
  O  O35  1  0.739  0.242  0.024  1.0
  O  O36  1  0.224  0.756  0.970  1.0
  O  O37  1  0.000  0.429  0.164  1.0
  O  O38  1  0.500  0.571  0.832  1.0
  O  O39  1  0.753  0.124  0.300  1.0
  O  O40  1  0.250  0.876  0.700  1.0
  O  O41  1  0.750  0.876  0.700  1.0
  O  O42  1  0.247  0.124  0.300  1.0
[/CIF]
.