The crystal structure described by CuReO4 is Keatite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(10), one O(13), one O(7), and one O(8) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(1)O4 trigonal pyramid,  a cornercorner with one Cu(2)O4 trigonal pyramid,  a cornercorner with one Cu(4)O4 trigonal pyramid, and  a cornercorner with one Cu(8)O4 trigonal pyramid. In the second Re site, Re(2) is bonded to one O(15), one O(18), one O(24), and one O(27) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(2)O4 trigonal pyramid,  a cornercorner with one Cu(6)O4 trigonal pyramid,  a cornercorner with one Cu(7)O4 trigonal pyramid, and  a cornercorner with one Cu(8)O4 trigonal pyramid. In the third Re site, Re(3) is bonded to one O(11), one O(25), one O(28), and one O(29) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(1)O4 trigonal pyramid,  a cornercorner with one Cu(2)O4 trigonal pyramid,  a cornercorner with one Cu(3)O4 trigonal pyramid, and  a cornercorner with one Cu(5)O4 trigonal pyramid. In the fourth Re site, Re(4) is bonded to one O(16), one O(20), one O(23), and one O(3) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(3)O4 trigonal pyramid,  a cornercorner with one Cu(5)O4 trigonal pyramid,  a cornercorner with one Cu(6)O4 trigonal pyramid, and  a cornercorner with one Cu(8)O4 trigonal pyramid. In the fifth Re site, Re(5) is bonded to one O(12), one O(17), one O(22), and one O(31) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(1)O4 trigonal pyramid,  a cornercorner with one Cu(4)O4 trigonal pyramid,  a cornercorner with one Cu(5)O4 trigonal pyramid, and  a cornercorner with one Cu(6)O4 trigonal pyramid. In the sixth Re site, Re(6) is bonded to one O(19), one O(21), one O(26), and one O(32) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(3)O4 trigonal pyramid,  a cornercorner with one Cu(4)O4 trigonal pyramid,  a cornercorner with one Cu(7)O4 trigonal pyramid, and  a cornercorner with one Cu(8)O4 trigonal pyramid. In the seventh Re site, Re(7) is bonded to one O(14), one O(2), one O(30), and one O(4) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(1)O4 trigonal pyramid,  a cornercorner with one Cu(3)O4 trigonal pyramid,  a cornercorner with one Cu(6)O4 trigonal pyramid, and  a cornercorner with one Cu(7)O4 trigonal pyramid. In the eighth Re site, Re(8) is bonded to one O(1), one O(5), one O(6), and one O(9) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(2)O4 trigonal pyramid,  a cornercorner with one Cu(4)O4 trigonal pyramid,  a cornercorner with one Cu(5)O4 trigonal pyramid, and  a cornercorner with one Cu(7)O4 trigonal pyramid. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(13), one O(28), one O(31), and one O(4) atom to form CuO4 trigonal pyramids that share  a cornercorner with one Re(1)O4 tetrahedra,  a cornercorner with one Re(3)O4 tetrahedra,  a cornercorner with one Re(5)O4 tetrahedra, and  a cornercorner with one Re(7)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to one O(10), one O(24), one O(29), and one O(9) atom to form CuO4 trigonal pyramids that share  a cornercorner with one Re(1)O4 tetrahedra,  a cornercorner with one Re(2)O4 tetrahedra,  a cornercorner with one Re(3)O4 tetrahedra, and  a cornercorner with one Re(8)O4 tetrahedra. In the third Cu site, Cu(3) is bonded to one O(11), one O(14), one O(19), and one O(20) atom to form CuO4 trigonal pyramids that share  a cornercorner with one Re(3)O4 tetrahedra,  a cornercorner with one Re(4)O4 tetrahedra,  a cornercorner with one Re(6)O4 tetrahedra, and  a cornercorner with one Re(7)O4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to one O(1), one O(21), one O(22), and one O(8) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Re(1)O4 tetrahedra,  a cornercorner with one Re(5)O4 tetrahedra,  a cornercorner with one Re(6)O4 tetrahedra, and  a cornercorner with one Re(8)O4 tetrahedra. In the fifth Cu site, Cu(5) is bonded to one O(17), one O(25), one O(3), and one O(6) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Re(3)O4 tetrahedra,  a cornercorner with one Re(4)O4 tetrahedra,  a cornercorner with one Re(5)O4 tetrahedra, and  a cornercorner with one Re(8)O4 tetrahedra. In the sixth Cu site, Cu(6) is bonded to one O(12), one O(16), one O(2), and one O(27) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Re(2)O4 tetrahedra,  a cornercorner with one Re(4)O4 tetrahedra,  a cornercorner with one Re(5)O4 tetrahedra, and  a cornercorner with one Re(7)O4 tetrahedra. In the seventh Cu site, Cu(7) is bonded to one O(15), one O(30), one O(32), and one O(5) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Re(2)O4 tetrahedra,  a cornercorner with one Re(6)O4 tetrahedra,  a cornercorner with one Re(7)O4 tetrahedra, and  a cornercorner with one Re(8)O4 tetrahedra. In the eighth Cu site, Cu(8) is bonded to one O(18), one O(23), one O(26), and one O(7) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Re(1)O4 tetrahedra,  a cornercorner with one Re(2)O4 tetrahedra,  a cornercorner with one Re(4)O4 tetrahedra, and  a cornercorner with one Re(6)O4 tetrahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Re(8) and one Cu(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Re(7) and one Cu(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Re(4) and one Cu(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Re(7) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Re(8) and one Cu(7) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Re(8) and one Cu(5) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Re(1) and one Cu(8) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Re(1) and one Cu(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Re(8) and one Cu(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Re(1) and one Cu(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Re(3) and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Re(5) and one Cu(6) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Re(1) and one Cu(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Re(7) and one Cu(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Re(2) and one Cu(7) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Re(4) and one Cu(6) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Re(5) and one Cu(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Re(2) and one Cu(8) atom. In the nineteenth O site, O(19) is bonded in a linear geometry to one Re(6) and one Cu(3) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Re(4) and one Cu(3) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Re(6) and one Cu(4) atom. In the twenty-second O site, O(22) is bonded in a linear geometry to one Re(5) and one Cu(4) atom. In the twenty-third O site, O(23) is bonded in a linear geometry to one Re(4) and one Cu(8) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Re(2) and one Cu(2) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Re(3) and one Cu(5) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Re(6) and one Cu(8) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Re(2) and one Cu(6) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Re(3) and one Cu(1) atom. In the twenty-ninth O site, O(29) is bonded in a linear geometry to one Re(3) and one Cu(2) atom. In the thirtieth O site, O(30) is bonded in a linear geometry to one Re(7) and one Cu(7) atom. In the thirty-first O site, O(31) is bonded in a bent 150 degrees geometry to one Re(5) and one Cu(1) atom. In the thirty-second O site, O(32) is bonded in a bent 150 degrees geometry to one Re(6) and one Cu(7) atom. is represented by the CIF card [CIF]
data_CuReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.804
_cell_length_b   10.553
_cell_length_c   10.552
_cell_angle_alpha   82.204
_cell_angle_beta   68.264
_cell_angle_gamma   68.353
_symmetry_Int_Tables_number   1
_cell_volume   750.349
_cell_formula_units_Z   8
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
  Cu  Cu0  1  0.684  0.721  0.044  1.0
  Cu  Cu1  1  0.475  0.223  0.456  1.0
  Cu  Cu2  1  0.949  0.956  0.279  1.0
  Cu  Cu3  1  0.156  0.777  0.548  1.0
  Cu  Cu4  1  0.449  0.279  0.954  1.0
  Cu  Cu5  1  0.182  0.050  0.723  1.0
  Cu  Cu6  1  0.654  0.546  0.777  1.0
  Cu  Cu7  1  0.978  0.452  0.224  1.0
  Re  Re8  1  0.351  0.546  0.259  1.0
  Re  Re9  1  0.850  0.257  0.546  1.0
  Re  Re10  1  0.360  0.046  0.240  1.0
  Re  Re11  1  0.857  0.242  0.047  1.0
  Re  Re12  1  0.648  0.954  0.758  1.0
  Re  Re13  1  0.655  0.742  0.454  1.0
  Re  Re14  1  0.147  0.758  0.955  1.0
  Re  Re15  1  0.153  0.455  0.743  1.0
  O  O16  1  0.205  0.604  0.674  1.0
  O  O17  1  0.110  0.889  0.834  1.0
  O  O18  1  0.640  0.316  0.006  1.0
  O  O19  1  0.964  0.682  0.995  1.0
  O  O20  1  0.894  0.496  0.819  1.0
  O  O21  1  0.268  0.384  0.865  1.0
  O  O22  1  0.206  0.506  0.186  1.0
  O  O23  1  0.193  0.666  0.392  1.0
  O  O24  1  0.244  0.336  0.610  1.0
  O  O25  1  0.481  0.397  0.328  1.0
  O  O26  1  0.141  0.007  0.315  1.0
  O  O27  1  0.463  0.997  0.684  1.0
  O  O28  1  0.517  0.617  0.136  1.0
  O  O29  1  0.126  0.829  0.104  1.0
  O  O30  1  0.692  0.390  0.665  1.0
  O  O31  1  0.057  0.173  0.897  1.0
  O  O32  1  0.631  0.104  0.827  1.0
  O  O33  1  0.981  0.326  0.396  1.0
  O  O34  1  0.771  0.864  0.383  1.0
  O  O35  1  0.831  0.110  0.166  1.0
  O  O36  1  0.397  0.819  0.494  1.0
  O  O37  1  0.884  0.883  0.635  1.0
  O  O38  1  0.900  0.365  0.118  1.0
  O  O39  1  0.707  0.182  0.506  1.0
  O  O40  1  0.334  0.166  0.108  1.0
  O  O41  1  0.747  0.609  0.336  1.0
  O  O42  1  0.016  0.134  0.617  1.0
  O  O43  1  0.559  0.896  0.171  1.0
  O  O44  1  0.404  0.116  0.363  1.0
  O  O45  1  0.384  0.635  0.887  1.0
  O  O46  1  0.607  0.836  0.891  1.0
  O  O47  1  0.703  0.674  0.605  1.0
[/CIF]
.
The crystal structure described by CuReO4 is Keatite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(10), one O(13), one O(7), and one O(8) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(1)O4 trigonal pyramid,  a cornercorner with one Cu(2)O4 trigonal pyramid,  a cornercorner with one Cu(4)O4 trigonal pyramid, and  a cornercorner with one Cu(8)O4 trigonal pyramid. In the second Re site, Re(2) is bonded to one O(15), one O(18), one O(24), and one O(27) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(2)O4 trigonal pyramid,  a cornercorner with one Cu(6)O4 trigonal pyramid,  a cornercorner with one Cu(7)O4 trigonal pyramid, and  a cornercorner with one Cu(8)O4 trigonal pyramid. In the third Re site, Re(3) is bonded to one O(11), one O(25), one O(28), and one O(29) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(1)O4 trigonal pyramid,  a cornercorner with one Cu(2)O4 trigonal pyramid,  a cornercorner with one Cu(3)O4 trigonal pyramid, and  a cornercorner with one Cu(5)O4 trigonal pyramid. In the fourth Re site, Re(4) is bonded to one O(16), one O(20), one O(23), and one O(3) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(3)O4 trigonal pyramid,  a cornercorner with one Cu(5)O4 trigonal pyramid,  a cornercorner with one Cu(6)O4 trigonal pyramid, and  a cornercorner with one Cu(8)O4 trigonal pyramid. In the fifth Re site, Re(5) is bonded to one O(12), one O(17), one O(22), and one O(31) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(1)O4 trigonal pyramid,  a cornercorner with one Cu(4)O4 trigonal pyramid,  a cornercorner with one Cu(5)O4 trigonal pyramid, and  a cornercorner with one Cu(6)O4 trigonal pyramid. In the sixth Re site, Re(6) is bonded to one O(19), one O(21), one O(26), and one O(32) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(3)O4 trigonal pyramid,  a cornercorner with one Cu(4)O4 trigonal pyramid,  a cornercorner with one Cu(7)O4 trigonal pyramid, and  a cornercorner with one Cu(8)O4 trigonal pyramid. In the seventh Re site, Re(7) is bonded to one O(14), one O(2), one O(30), and one O(4) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(1)O4 trigonal pyramid,  a cornercorner with one Cu(3)O4 trigonal pyramid,  a cornercorner with one Cu(6)O4 trigonal pyramid, and  a cornercorner with one Cu(7)O4 trigonal pyramid. In the eighth Re site, Re(8) is bonded to one O(1), one O(5), one O(6), and one O(9) atom to form ReO4 tetrahedra that share  a cornercorner with one Cu(2)O4 trigonal pyramid,  a cornercorner with one Cu(4)O4 trigonal pyramid,  a cornercorner with one Cu(5)O4 trigonal pyramid, and  a cornercorner with one Cu(7)O4 trigonal pyramid. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(13), one O(28), one O(31), and one O(4) atom to form CuO4 trigonal pyramids that share  a cornercorner with one Re(1)O4 tetrahedra,  a cornercorner with one Re(3)O4 tetrahedra,  a cornercorner with one Re(5)O4 tetrahedra, and  a cornercorner with one Re(7)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to one O(10), one O(24), one O(29), and one O(9) atom to form CuO4 trigonal pyramids that share  a cornercorner with one Re(1)O4 tetrahedra,  a cornercorner with one Re(2)O4 tetrahedra,  a cornercorner with one Re(3)O4 tetrahedra, and  a cornercorner with one Re(8)O4 tetrahedra. In the third Cu site, Cu(3) is bonded to one O(11), one O(14), one O(19), and one O(20) atom to form CuO4 trigonal pyramids that share  a cornercorner with one Re(3)O4 tetrahedra,  a cornercorner with one Re(4)O4 tetrahedra,  a cornercorner with one Re(6)O4 tetrahedra, and  a cornercorner with one Re(7)O4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to one O(1), one O(21), one O(22), and one O(8) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Re(1)O4 tetrahedra,  a cornercorner with one Re(5)O4 tetrahedra,  a cornercorner with one Re(6)O4 tetrahedra, and  a cornercorner with one Re(8)O4 tetrahedra. In the fifth Cu site, Cu(5) is bonded to one O(17), one O(25), one O(3), and one O(6) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Re(3)O4 tetrahedra,  a cornercorner with one Re(4)O4 tetrahedra,  a cornercorner with one Re(5)O4 tetrahedra, and  a cornercorner with one Re(8)O4 tetrahedra. In the sixth Cu site, Cu(6) is bonded to one O(12), one O(16), one O(2), and one O(27) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Re(2)O4 tetrahedra,  a cornercorner with one Re(4)O4 tetrahedra,  a cornercorner with one Re(5)O4 tetrahedra, and  a cornercorner with one Re(7)O4 tetrahedra. In the seventh Cu site, Cu(7) is bonded to one O(15), one O(30), one O(32), and one O(5) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Re(2)O4 tetrahedra,  a cornercorner with one Re(6)O4 tetrahedra,  a cornercorner with one Re(7)O4 tetrahedra, and  a cornercorner with one Re(8)O4 tetrahedra. In the eighth Cu site, Cu(8) is bonded to one O(18), one O(23), one O(26), and one O(7) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Re(1)O4 tetrahedra,  a cornercorner with one Re(2)O4 tetrahedra,  a cornercorner with one Re(4)O4 tetrahedra, and  a cornercorner with one Re(6)O4 tetrahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Re(8) and one Cu(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Re(7) and one Cu(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Re(4) and one Cu(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Re(7) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Re(8) and one Cu(7) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Re(8) and one Cu(5) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Re(1) and one Cu(8) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Re(1) and one Cu(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Re(8) and one Cu(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Re(1) and one Cu(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Re(3) and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Re(5) and one Cu(6) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Re(1) and one Cu(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Re(7) and one Cu(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Re(2) and one Cu(7) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Re(4) and one Cu(6) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Re(5) and one Cu(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Re(2) and one Cu(8) atom. In the nineteenth O site, O(19) is bonded in a linear geometry to one Re(6) and one Cu(3) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Re(4) and one Cu(3) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Re(6) and one Cu(4) atom. In the twenty-second O site, O(22) is bonded in a linear geometry to one Re(5) and one Cu(4) atom. In the twenty-third O site, O(23) is bonded in a linear geometry to one Re(4) and one Cu(8) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Re(2) and one Cu(2) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Re(3) and one Cu(5) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Re(6) and one Cu(8) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Re(2) and one Cu(6) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Re(3) and one Cu(1) atom. In the twenty-ninth O site, O(29) is bonded in a linear geometry to one Re(3) and one Cu(2) atom. In the thirtieth O site, O(30) is bonded in a linear geometry to one Re(7) and one Cu(7) atom. In the thirty-first O site, O(31) is bonded in a bent 150 degrees geometry to one Re(5) and one Cu(1) atom. In the thirty-second O site, O(32) is bonded in a bent 150 degrees geometry to one Re(6) and one Cu(7) atom. is represented by the CIF card [CIF]
data_CuReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.804
_cell_length_b   10.553
_cell_length_c   10.552
_cell_angle_alpha   82.204
_cell_angle_beta   68.264
_cell_angle_gamma   68.353
_symmetry_Int_Tables_number   1
_cell_volume   750.349
_cell_formula_units_Z   8
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
  Cu  Cu0  1  0.684  0.721  0.044  1.0
  Cu  Cu1  1  0.475  0.223  0.456  1.0
  Cu  Cu2  1  0.949  0.956  0.279  1.0
  Cu  Cu3  1  0.156  0.777  0.548  1.0
  Cu  Cu4  1  0.449  0.279  0.954  1.0
  Cu  Cu5  1  0.182  0.050  0.723  1.0
  Cu  Cu6  1  0.654  0.546  0.777  1.0
  Cu  Cu7  1  0.978  0.452  0.224  1.0
  Re  Re8  1  0.351  0.546  0.259  1.0
  Re  Re9  1  0.850  0.257  0.546  1.0
  Re  Re10  1  0.360  0.046  0.240  1.0
  Re  Re11  1  0.857  0.242  0.047  1.0
  Re  Re12  1  0.648  0.954  0.758  1.0
  Re  Re13  1  0.655  0.742  0.454  1.0
  Re  Re14  1  0.147  0.758  0.955  1.0
  Re  Re15  1  0.153  0.455  0.743  1.0
  O  O16  1  0.205  0.604  0.674  1.0
  O  O17  1  0.110  0.889  0.834  1.0
  O  O18  1  0.640  0.316  0.006  1.0
  O  O19  1  0.964  0.682  0.995  1.0
  O  O20  1  0.894  0.496  0.819  1.0
  O  O21  1  0.268  0.384  0.865  1.0
  O  O22  1  0.206  0.506  0.186  1.0
  O  O23  1  0.193  0.666  0.392  1.0
  O  O24  1  0.244  0.336  0.610  1.0
  O  O25  1  0.481  0.397  0.328  1.0
  O  O26  1  0.141  0.007  0.315  1.0
  O  O27  1  0.463  0.997  0.684  1.0
  O  O28  1  0.517  0.617  0.136  1.0
  O  O29  1  0.126  0.829  0.104  1.0
  O  O30  1  0.692  0.390  0.665  1.0
  O  O31  1  0.057  0.173  0.897  1.0
  O  O32  1  0.631  0.104  0.827  1.0
  O  O33  1  0.981  0.326  0.396  1.0
  O  O34  1  0.771  0.864  0.383  1.0
  O  O35  1  0.831  0.110  0.166  1.0
  O  O36  1  0.397  0.819  0.494  1.0
  O  O37  1  0.884  0.883  0.635  1.0
  O  O38  1  0.900  0.365  0.118  1.0
  O  O39  1  0.707  0.182  0.506  1.0
  O  O40  1  0.334  0.166  0.108  1.0
  O  O41  1  0.747  0.609  0.336  1.0
  O  O42  1  0.016  0.134  0.617  1.0
  O  O43  1  0.559  0.896  0.171  1.0
  O  O44  1  0.404  0.116  0.363  1.0
  O  O45  1  0.384  0.635  0.887  1.0
  O  O46  1  0.607  0.836  0.891  1.0
  O  O47  1  0.703  0.674  0.605  1.0
[/CIF]
.