The material structure described by Ca2FeZn(SiO3)4 is Esseneite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(14), one O(15), one O(17), one O(2), one O(20), one O(21), one O(23), and one O(4) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(16), one O(18), one O(19), one O(22), one O(24), and one O(3) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(17), one O(19), one O(21), one O(24), one O(6), and one O(8) atom. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(12), one O(18), one O(20), one O(22), one O(23), one O(5), one O(7), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(14), one O(16), one O(4), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one Zn(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(13), one O(15), one O(2), one O(3), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form ZnO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form ZnO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(17), one O(23), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Si(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the second Si site, Si(2) is bonded to one O(10), one O(18), one O(2), and one O(24) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Si(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the third Si site, Si(3) is bonded to one O(11), one O(20), one O(21), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the fourth Si site, Si(4) is bonded to one O(12), one O(19), one O(22), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the fifth Si site, Si(5) is bonded to one O(13), one O(19), one O(21), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-58°. In the sixth Si site, Si(6) is bonded to one O(14), one O(20), one O(22), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the seventh Si site, Si(7) is bonded to one O(15), one O(17), one O(24), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the eighth Si site, Si(8) is bonded to one O(16), one O(18), one O(23), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-58°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(2), one Fe(1), one Zn(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OCaZnFeSi trigonal pyramids. In the second O site, O(2) is bonded to one Ca(1), one Fe(2), one Zn(1), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OCaZnFeSi trigonal pyramids. In the third O site, O(3) is bonded to one Ca(2), one Fe(2), one Zn(2), and one Si(3) atom to form a mixture of distorted corner and edge-sharing OCaZnFeSi trigonal pyramids. In the fourth O site, O(4) is bonded to one Ca(1), one Fe(1), one Zn(1), and one Si(4) atom to form a mixture of distorted corner and edge-sharing OCaZnFeSi trigonal pyramids. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(4), one Fe(1), one Zn(2), and one Si(5) atom. In the sixth O site, O(6) is bonded to one Ca(3), one Fe(2), one Zn(1), and one Si(6) atom to form a mixture of distorted corner and edge-sharing OCaZnFeSi trigonal pyramids. In the seventh O site, O(7) is bonded to one Ca(4), one Fe(1), one Zn(1), and one Si(7) atom to form a mixture of distorted corner and edge-sharing OCaZnFeSi trigonal pyramids. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(3), one Fe(2), one Zn(2), and one Si(8) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ca(4), one Zn(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ca(3), one Zn(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Ca(3), one Zn(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Ca(4), one Zn(2), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Ca(2), one Fe(2), and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Ca(1), one Fe(1), and one Si(6) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Ca(1), one Fe(2), and one Si(7) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Ca(2), one Fe(1), and one Si(8) atom. In the seventeenth O site, O(17) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(3), one Si(1), and one Si(7) atom. In the eighteenth O site, O(18) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(4), one Si(2), and one Si(8) atom. In the nineteenth O site, O(19) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(3), one Si(4), and one Si(5) atom. In the twentieth O site, O(20) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(4), one Si(3), and one Si(6) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(3), one Si(3), and one Si(5) atom. In the twenty-second O site, O(22) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(4), one Si(4), and one Si(6) atom. In the twenty-third O site, O(23) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(4), one Si(1), and one Si(8) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(3), one Si(2), and one Si(7) atom. is represented by the CIF file [CIF]
data_Ca2ZnFe(SiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.329
_cell_length_b   6.744
_cell_length_c   6.754
_cell_angle_alpha   84.568
_cell_angle_beta   78.526
_cell_angle_gamma   78.475
_symmetry_Int_Tables_number   1
_cell_volume   232.731
_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  0.249  0.703  0.298  1.0
  Ca  Ca1  1  0.750  0.298  0.702  1.0
  Fe  Fe2  1  0.750  0.905  0.095  1.0
  O  O3  1  0.348  0.029  0.209  1.0
  O  O4  1  0.153  0.791  0.971  1.0
  O  O5  1  0.645  0.972  0.794  1.0
  O  O6  1  0.855  0.206  0.029  1.0
  O  O7  1  0.174  0.116  0.610  1.0
  O  O8  1  0.327  0.390  0.883  1.0
  O  O9  1  0.824  0.886  0.392  1.0
  O  O10  1  0.675  0.608  0.114  1.0
  O  O11  1  0.504  0.329  0.367  1.0
  O  O12  1  0.996  0.633  0.670  1.0
  O  O13  1  0.497  0.669  0.631  1.0
  O  O14  1  0.003  0.369  0.331  1.0
  Si  Si15  1  0.266  0.195  0.379  1.0
  Si  Si16  1  0.234  0.621  0.805  1.0
  Si  Si17  1  0.732  0.806  0.621  1.0
  Si  Si18  1  0.768  0.379  0.195  1.0
  Zn  Zn19  1  0.250  0.096  0.904  1.0
[/CIF]
.
The material structure described by Ca2FeZn(SiO3)4 is Esseneite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(14), one O(15), one O(17), one O(2), one O(20), one O(21), one O(23), and one O(4) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(16), one O(18), one O(19), one O(22), one O(24), and one O(3) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(17), one O(19), one O(21), one O(24), one O(6), and one O(8) atom. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(12), one O(18), one O(20), one O(22), one O(23), one O(5), one O(7), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(14), one O(16), one O(4), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one Zn(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(13), one O(15), one O(2), one O(3), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form ZnO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form ZnO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(17), one O(23), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Si(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the second Si site, Si(2) is bonded to one O(10), one O(18), one O(2), and one O(24) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Si(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the third Si site, Si(3) is bonded to one O(11), one O(20), one O(21), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the fourth Si site, Si(4) is bonded to one O(12), one O(19), one O(22), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the fifth Si site, Si(5) is bonded to one O(13), one O(19), one O(21), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-58°. In the sixth Si site, Si(6) is bonded to one O(14), one O(20), one O(22), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the seventh Si site, Si(7) is bonded to one O(15), one O(17), one O(24), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. In the eighth Si site, Si(8) is bonded to one O(16), one O(18), one O(23), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-58°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(2), one Fe(1), one Zn(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OCaZnFeSi trigonal pyramids. In the second O site, O(2) is bonded to one Ca(1), one Fe(2), one Zn(1), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OCaZnFeSi trigonal pyramids. In the third O site, O(3) is bonded to one Ca(2), one Fe(2), one Zn(2), and one Si(3) atom to form a mixture of distorted corner and edge-sharing OCaZnFeSi trigonal pyramids. In the fourth O site, O(4) is bonded to one Ca(1), one Fe(1), one Zn(1), and one Si(4) atom to form a mixture of distorted corner and edge-sharing OCaZnFeSi trigonal pyramids. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(4), one Fe(1), one Zn(2), and one Si(5) atom. In the sixth O site, O(6) is bonded to one Ca(3), one Fe(2), one Zn(1), and one Si(6) atom to form a mixture of distorted corner and edge-sharing OCaZnFeSi trigonal pyramids. In the seventh O site, O(7) is bonded to one Ca(4), one Fe(1), one Zn(1), and one Si(7) atom to form a mixture of distorted corner and edge-sharing OCaZnFeSi trigonal pyramids. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(3), one Fe(2), one Zn(2), and one Si(8) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ca(4), one Zn(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ca(3), one Zn(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Ca(3), one Zn(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Ca(4), one Zn(2), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Ca(2), one Fe(2), and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Ca(1), one Fe(1), and one Si(6) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Ca(1), one Fe(2), and one Si(7) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Ca(2), one Fe(1), and one Si(8) atom. In the seventeenth O site, O(17) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(3), one Si(1), and one Si(7) atom. In the eighteenth O site, O(18) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(4), one Si(2), and one Si(8) atom. In the nineteenth O site, O(19) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(3), one Si(4), and one Si(5) atom. In the twentieth O site, O(20) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(4), one Si(3), and one Si(6) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(3), one Si(3), and one Si(5) atom. In the twenty-second O site, O(22) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(4), one Si(4), and one Si(6) atom. In the twenty-third O site, O(23) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(4), one Si(1), and one Si(8) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(3), one Si(2), and one Si(7) atom. is represented by the CIF file [CIF]
data_Ca2ZnFe(SiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.329
_cell_length_b   6.744
_cell_length_c   6.754
_cell_angle_alpha   84.568
_cell_angle_beta   78.526
_cell_angle_gamma   78.475
_symmetry_Int_Tables_number   1
_cell_volume   232.731
_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  0.249  0.703  0.298  1.0
  Ca  Ca1  1  0.750  0.298  0.702  1.0
  Fe  Fe2  1  0.750  0.905  0.095  1.0
  O  O3  1  0.348  0.029  0.209  1.0
  O  O4  1  0.153  0.791  0.971  1.0
  O  O5  1  0.645  0.972  0.794  1.0
  O  O6  1  0.855  0.206  0.029  1.0
  O  O7  1  0.174  0.116  0.610  1.0
  O  O8  1  0.327  0.390  0.883  1.0
  O  O9  1  0.824  0.886  0.392  1.0
  O  O10  1  0.675  0.608  0.114  1.0
  O  O11  1  0.504  0.329  0.367  1.0
  O  O12  1  0.996  0.633  0.670  1.0
  O  O13  1  0.497  0.669  0.631  1.0
  O  O14  1  0.003  0.369  0.331  1.0
  Si  Si15  1  0.266  0.195  0.379  1.0
  Si  Si16  1  0.234  0.621  0.805  1.0
  Si  Si17  1  0.732  0.806  0.621  1.0
  Si  Si18  1  0.768  0.379  0.195  1.0
  Zn  Zn19  1  0.250  0.096  0.904  1.0
[/CIF]
.