The material described by Ca3Cu6(PO4)8 crystallizes in the triclinic P1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to one O(14), one O(18), one O(23), one O(24), one O(31), one O(7), one O(9), and two equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded to one O(14), one O(16), one O(25), one O(27), one O(5), and one O(7) atom to form distorted CaO6 octahedra that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Cu(2)O5 trigonal bipyramid, and  an edgeedge with one Cu(4)O5 trigonal bipyramid. In the third Ca site, Ca(3) is bonded to one O(13), one O(15), one O(26), one O(28), one O(6), and one O(8) atom to form CaO6 octahedra that share  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Cu(3)O5 trigonal bipyramid. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(20), one O(26), one O(4), and one O(6) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Ca(3)O6 octahedra. In the second Cu site, Cu(2) is bonded to one O(12), one O(19), one O(25), one O(3), and one O(5) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Ca(2)O6 octahedra. In the third Cu site, Cu(3) is bonded to one O(18), one O(2), one O(28), one O(8), and one O(9) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Ca(3)O6 octahedra. In the fourth Cu site, Cu(4) is bonded to one O(1), one O(10), one O(17), one O(27), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Ca(2)O6 octahedra. In the fifth Cu site, Cu(5) is bonded in a rectangular see-saw-like geometry to one O(18), one O(20), one O(29), and one O(31) atom. In the sixth Cu site, Cu(6) is bonded in a square co-planar geometry to one O(17), one O(19), one O(30), and one O(32) atom. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ca(3)O6 octahedra,  a cornercorner with one Cu(4)O5 trigonal bipyramid, and corners with two equivalent Cu(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-58°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(2), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ca(2)O6 octahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and corners with two equivalent Cu(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-59°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ca(3)O6 octahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-59°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Ca(2)O6 octahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and corners with two equivalent Cu(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-59°. In the fifth P site, P(5) is bonded to one O(17), one O(24), one O(25), and one O(32) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 54°. In the sixth P site, P(6) is bonded to one O(18), one O(23), one O(26), and one O(31) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  a cornercorner with one Cu(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 54°. In the seventh P site, P(7) is bonded to one O(19), one O(22), one O(27), and one O(30) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 58°. In the eighth P site, P(8) is bonded to one O(20), one O(21), one O(28), and one O(29) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  a cornercorner with one Cu(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 55°. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cu(4) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1), one Cu(3), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(2), one Cu(2), and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(3), one Cu(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Ca(1), one Ca(2), one Cu(4), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(3), one Cu(3), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Cu(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(4) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Ca(3) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Ca(3) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Ca(2) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Cu(4), one Cu(6), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ca(1), one Cu(3), one Cu(5), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Cu(2), one Cu(6), and one P(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(5), and one P(8) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one P(8) atom. In the twenty-second O site, O(22) is bonded in a single-bond geometry to one P(7) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Ca(1) and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Ca(1) and one P(5) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one Ca(2), one Cu(2), and one P(5) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Ca(3), one Cu(1), and one P(6) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Ca(2), one Cu(4), and one P(7) atom. In the twenty-eighth O site, O(28) is bonded in a distorted trigonal planar geometry to one Ca(3), one Cu(3), and one P(8) atom. In the twenty-ninth O site, O(29) is bonded in a bent 120 degrees geometry to one Cu(5) and one P(8) atom. In the thirtieth O site, O(30) is bonded in a bent 120 degrees geometry to one Cu(6) and one P(7) atom. In the thirty-first O site, O(31) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cu(5), and one P(6) atom. In the thirty-second O site, O(32) is bonded in a bent 120 degrees geometry to one Cu(6) and one P(5) atom. is represented by the CIF file [CIF]
data_Ca3Cu6(PO4)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.905
_cell_length_b   9.197
_cell_length_c   14.558
_cell_angle_alpha   84.803
_cell_angle_beta   89.882
_cell_angle_gamma   89.356
_symmetry_Int_Tables_number   1
_cell_volume   654.060
_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
  Ca  Ca0  1  0.535  0.454  0.736  1.0
  Ca  Ca1  1  0.504  0.502  0.006  1.0
  Ca  Ca2  1  0.001  0.000  0.498  1.0
  Cu  Cu3  1  0.966  0.331  0.376  1.0
  Cu  Cu4  1  0.465  0.167  0.123  1.0
  Cu  Cu5  1  0.024  0.676  0.619  1.0
  Cu  Cu6  1  0.541  0.840  0.879  1.0
  Cu  Cu7  1  0.503  0.500  0.497  1.0
  Cu  Cu8  1  0.001  0.000  0.000  1.0
  P  P9  1  0.511  0.875  0.661  1.0
  P  P10  1  0.009  0.622  0.841  1.0
  P  P11  1  0.492  0.123  0.339  1.0
  P  P12  1  0.990  0.377  0.160  1.0
  P  P13  1  0.492  0.155  0.910  1.0
  P  P14  1  0.990  0.344  0.592  1.0
  P  P15  1  0.511  0.847  0.092  1.0
  P  P16  1  0.011  0.654  0.407  1.0
  O  O17  1  0.455  0.915  0.761  1.0
  O  O18  1  0.960  0.583  0.738  1.0
  O  O19  1  0.545  0.084  0.239  1.0
  O  O20  1  0.044  0.416  0.260  1.0
  O  O21  1  0.684  0.370  0.138  1.0
  O  O22  1  0.184  0.131  0.363  1.0
  O  O23  1  0.319  0.614  0.858  1.0
  O  O24  1  0.820  0.871  0.638  1.0
  O  O25  1  0.414  0.715  0.649  1.0
  O  O26  1  0.907  0.780  0.854  1.0
  O  O27  1  0.594  0.280  0.354  1.0
  O  O28  1  0.097  0.220  0.146  1.0
  O  O29  1  0.366  0.991  0.599  1.0
  O  O30  1  0.852  0.504  0.897  1.0
  O  O31  1  0.635  0.004  0.401  1.0
  O  O32  1  0.131  0.496  0.099  1.0
  O  O33  1  0.314  0.009  0.922  1.0
  O  O34  1  0.805  0.493  0.579  1.0
  O  O35  1  0.687  0.993  0.077  1.0
  O  O36  1  0.186  0.506  0.423  1.0
  O  O37  1  0.079  0.753  0.323  1.0
  O  O38  1  0.579  0.748  0.175  1.0
  O  O39  1  0.903  0.262  0.680  1.0
  O  O40  1  0.422  0.253  0.826  1.0
  O  O41  1  0.430  0.241  0.996  1.0
  O  O42  1  0.940  0.260  0.506  1.0
  O  O43  1  0.567  0.761  0.004  1.0
  O  O44  1  0.069  0.742  0.493  1.0
  O  O45  1  0.709  0.601  0.404  1.0
  O  O46  1  0.208  0.901  0.094  1.0
  O  O47  1  0.291  0.401  0.596  1.0
  O  O48  1  0.792  0.099  0.905  1.0
[/CIF]
.
The material described by Ca3Cu6(PO4)8 crystallizes in the triclinic P1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to one O(14), one O(18), one O(23), one O(24), one O(31), one O(7), one O(9), and two equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded to one O(14), one O(16), one O(25), one O(27), one O(5), and one O(7) atom to form distorted CaO6 octahedra that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Cu(2)O5 trigonal bipyramid, and  an edgeedge with one Cu(4)O5 trigonal bipyramid. In the third Ca site, Ca(3) is bonded to one O(13), one O(15), one O(26), one O(28), one O(6), and one O(8) atom to form CaO6 octahedra that share  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Cu(3)O5 trigonal bipyramid. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(20), one O(26), one O(4), and one O(6) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Ca(3)O6 octahedra. In the second Cu site, Cu(2) is bonded to one O(12), one O(19), one O(25), one O(3), and one O(5) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Ca(2)O6 octahedra. In the third Cu site, Cu(3) is bonded to one O(18), one O(2), one O(28), one O(8), and one O(9) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Ca(3)O6 octahedra. In the fourth Cu site, Cu(4) is bonded to one O(1), one O(10), one O(17), one O(27), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Ca(2)O6 octahedra. In the fifth Cu site, Cu(5) is bonded in a rectangular see-saw-like geometry to one O(18), one O(20), one O(29), and one O(31) atom. In the sixth Cu site, Cu(6) is bonded in a square co-planar geometry to one O(17), one O(19), one O(30), and one O(32) atom. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ca(3)O6 octahedra,  a cornercorner with one Cu(4)O5 trigonal bipyramid, and corners with two equivalent Cu(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-58°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(2), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ca(2)O6 octahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and corners with two equivalent Cu(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-59°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ca(3)O6 octahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-59°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Ca(2)O6 octahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and corners with two equivalent Cu(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-59°. In the fifth P site, P(5) is bonded to one O(17), one O(24), one O(25), and one O(32) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 54°. In the sixth P site, P(6) is bonded to one O(18), one O(23), one O(26), and one O(31) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  a cornercorner with one Cu(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 54°. In the seventh P site, P(7) is bonded to one O(19), one O(22), one O(27), and one O(30) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 58°. In the eighth P site, P(8) is bonded to one O(20), one O(21), one O(28), and one O(29) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  a cornercorner with one Cu(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 55°. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cu(4) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1), one Cu(3), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(2), one Cu(2), and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(3), one Cu(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Ca(1), one Ca(2), one Cu(4), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(3), one Cu(3), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Cu(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(4) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Ca(3) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Ca(3) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Ca(2) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Cu(4), one Cu(6), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ca(1), one Cu(3), one Cu(5), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Cu(2), one Cu(6), and one P(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(5), and one P(8) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one P(8) atom. In the twenty-second O site, O(22) is bonded in a single-bond geometry to one P(7) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Ca(1) and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Ca(1) and one P(5) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one Ca(2), one Cu(2), and one P(5) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Ca(3), one Cu(1), and one P(6) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Ca(2), one Cu(4), and one P(7) atom. In the twenty-eighth O site, O(28) is bonded in a distorted trigonal planar geometry to one Ca(3), one Cu(3), and one P(8) atom. In the twenty-ninth O site, O(29) is bonded in a bent 120 degrees geometry to one Cu(5) and one P(8) atom. In the thirtieth O site, O(30) is bonded in a bent 120 degrees geometry to one Cu(6) and one P(7) atom. In the thirty-first O site, O(31) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cu(5), and one P(6) atom. In the thirty-second O site, O(32) is bonded in a bent 120 degrees geometry to one Cu(6) and one P(5) atom. is represented by the CIF file [CIF]
data_Ca3Cu6(PO4)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.905
_cell_length_b   9.197
_cell_length_c   14.558
_cell_angle_alpha   84.803
_cell_angle_beta   89.882
_cell_angle_gamma   89.356
_symmetry_Int_Tables_number   1
_cell_volume   654.060
_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
  Ca  Ca0  1  0.535  0.454  0.736  1.0
  Ca  Ca1  1  0.504  0.502  0.006  1.0
  Ca  Ca2  1  0.001  0.000  0.498  1.0
  Cu  Cu3  1  0.966  0.331  0.376  1.0
  Cu  Cu4  1  0.465  0.167  0.123  1.0
  Cu  Cu5  1  0.024  0.676  0.619  1.0
  Cu  Cu6  1  0.541  0.840  0.879  1.0
  Cu  Cu7  1  0.503  0.500  0.497  1.0
  Cu  Cu8  1  0.001  0.000  0.000  1.0
  P  P9  1  0.511  0.875  0.661  1.0
  P  P10  1  0.009  0.622  0.841  1.0
  P  P11  1  0.492  0.123  0.339  1.0
  P  P12  1  0.990  0.377  0.160  1.0
  P  P13  1  0.492  0.155  0.910  1.0
  P  P14  1  0.990  0.344  0.592  1.0
  P  P15  1  0.511  0.847  0.092  1.0
  P  P16  1  0.011  0.654  0.407  1.0
  O  O17  1  0.455  0.915  0.761  1.0
  O  O18  1  0.960  0.583  0.738  1.0
  O  O19  1  0.545  0.084  0.239  1.0
  O  O20  1  0.044  0.416  0.260  1.0
  O  O21  1  0.684  0.370  0.138  1.0
  O  O22  1  0.184  0.131  0.363  1.0
  O  O23  1  0.319  0.614  0.858  1.0
  O  O24  1  0.820  0.871  0.638  1.0
  O  O25  1  0.414  0.715  0.649  1.0
  O  O26  1  0.907  0.780  0.854  1.0
  O  O27  1  0.594  0.280  0.354  1.0
  O  O28  1  0.097  0.220  0.146  1.0
  O  O29  1  0.366  0.991  0.599  1.0
  O  O30  1  0.852  0.504  0.897  1.0
  O  O31  1  0.635  0.004  0.401  1.0
  O  O32  1  0.131  0.496  0.099  1.0
  O  O33  1  0.314  0.009  0.922  1.0
  O  O34  1  0.805  0.493  0.579  1.0
  O  O35  1  0.687  0.993  0.077  1.0
  O  O36  1  0.186  0.506  0.423  1.0
  O  O37  1  0.079  0.753  0.323  1.0
  O  O38  1  0.579  0.748  0.175  1.0
  O  O39  1  0.903  0.262  0.680  1.0
  O  O40  1  0.422  0.253  0.826  1.0
  O  O41  1  0.430  0.241  0.996  1.0
  O  O42  1  0.940  0.260  0.506  1.0
  O  O43  1  0.567  0.761  0.004  1.0
  O  O44  1  0.069  0.742  0.493  1.0
  O  O45  1  0.709  0.601  0.404  1.0
  O  O46  1  0.208  0.901  0.094  1.0
  O  O47  1  0.291  0.401  0.596  1.0
  O  O48  1  0.792  0.099  0.905  1.0
[/CIF]
.