The material structure described by SrCa7CrMn7O23 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a distorted q6 geometry to one O(4), two equivalent O(2), two equivalent O(6), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(5), two equivalent O(3), two equivalent O(6), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms to form distorted CaO12 cuboctahedra that share corners with four equivalent Ca(5)O12 cuboctahedra, faces with four equivalent Ca(3)O12 cuboctahedra,  a faceface with one Mn(4)O6 octahedra,  a faceface with one Mn(5)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra,  a faceface with one Cr(1)O5 square pyramid, and  a faceface with one Mn(1)O5 square pyramid. In the second Ca site, Ca(2) is bonded in a distorted q6 geometry to one O(10), one O(11), one O(12), one O(13), one O(4), one O(6), one O(7), one O(8), one O(9), and two equivalent O(2) atoms. In the third Ca site, Ca(3) is bonded to one O(1), one O(10), one O(11), one O(12), one O(13), one O(5), one O(6), one O(7), one O(8), one O(9), and two equivalent O(3) atoms to form distorted CaO12 cuboctahedra that share corners with four equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(5)O12 cuboctahedra,  a faceface with one Mn(4)O6 octahedra,  a faceface with one Mn(5)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra,  a faceface with one Cr(1)O5 square pyramid, and  a faceface with one Mn(1)O5 square pyramid. In the fourth Ca site, Ca(4) is bonded in a distorted q6 geometry to one O(4), two equivalent O(10), two equivalent O(11), two equivalent O(12), two equivalent O(13), and two equivalent O(2) atoms. In the fifth Ca site, Ca(5) is bonded to one O(1), one O(5), two equivalent O(10), two equivalent O(11), two equivalent O(12), two equivalent O(13), and two equivalent O(3) atoms to form distorted CaO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Ca(3)O12 cuboctahedra,  a faceface with one Mn(4)O6 octahedra,  a faceface with one Mn(5)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra,  a faceface with one Cr(1)O5 square pyramid, and  a faceface with one Mn(1)O5 square pyramid. Cr(1) is bonded to one O(1), two equivalent O(10), and two equivalent O(6) atoms to form CrO5 square pyramids that share corners with four equivalent Mn(2)O6 octahedra,  a cornercorner with one Mn(1)O5 square pyramid,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(5)O12 cuboctahedra, and faces with two equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 15-19°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), two equivalent O(11), and two equivalent O(7) atoms to form MnO5 square pyramids that share corners with four equivalent Mn(3)O6 octahedra,  a cornercorner with one Cr(1)O5 square pyramid,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(5)O12 cuboctahedra, and faces with two equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Cr(1)O5 square pyramids,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(5)O12 cuboctahedra, and faces with two equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third Mn site, Mn(3) is bonded to one O(11), one O(13), one O(2), one O(3), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(1)O5 square pyramids,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(5)O12 cuboctahedra, and faces with two equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(5), two equivalent O(12), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(5)O12 cuboctahedra, and faces with two equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth Mn site, Mn(5) is bonded to one O(4), one O(5), two equivalent O(13), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(5)O12 cuboctahedra, and faces with two equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ca(1), one Ca(5), two equivalent Ca(3), one Cr(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one Ca(4), two equivalent Ca(2), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded to one Ca(1), one Ca(5), two equivalent Ca(3), one Mn(2), and one Mn(3) atom to form distorted OCa4Mn2 octahedra that share corners with two equivalent O(13)Ca4Mn2 octahedra, corners with two equivalent O(9)SrCa3Mn2 octahedra, corners with four equivalent O(3)Ca4Mn2 octahedra, edges with two equivalent O(5)Ca4Mn2 octahedra,  a faceface with one O(13)Ca4Mn2 octahedra, and  a faceface with one O(9)SrCa3Mn2 octahedra. The corner-sharing octahedral tilt angles range from 7-55°. In the fourth O site, O(4) is bonded to one Sr(1), one Ca(4), two equivalent Ca(2), one Mn(4), and one Mn(5) atom to form distorted OSrCa3Mn2 octahedra that share corners with two equivalent O(5)Ca4Mn2 octahedra, faces with two equivalent O(13)Ca4Mn2 octahedra, and faces with two equivalent O(9)SrCa3Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(5), two equivalent Ca(3), one Mn(4), and one Mn(5) atom to form distorted OCa4Mn2 octahedra that share corners with two equivalent O(4)SrCa3Mn2 octahedra, edges with four equivalent O(3)Ca4Mn2 octahedra, faces with two equivalent O(13)Ca4Mn2 octahedra, and faces with two equivalent O(9)SrCa3Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Cr(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(1), and one Mn(3) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(2), and one Mn(4) atom. In the ninth O site, O(9) is bonded to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(3), and one Mn(5) atom to form distorted OSrCa3Mn2 octahedra that share corners with two equivalent O(13)Ca4Mn2 octahedra, corners with two equivalent O(3)Ca4Mn2 octahedra,  a faceface with one O(13)Ca4Mn2 octahedra,  a faceface with one O(3)Ca4Mn2 octahedra,  a faceface with one O(5)Ca4Mn2 octahedra,  a faceface with one O(4)SrCa3Mn2 octahedra, and  a faceface with one O(9)SrCa3Mn2 octahedra. The corner-sharing octahedral tilt angles range from 5-55°. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Ca(5), one Cr(1), and one Mn(2) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Ca(5), one Mn(1), and one Mn(3) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Ca(2), one Ca(3), one Ca(4), one Ca(5), one Mn(2), and one Mn(4) atom. In the thirteenth O site, O(13) is bonded to one Ca(2), one Ca(3), one Ca(4), one Ca(5), one Mn(3), and one Mn(5) atom to form distorted OCa4Mn2 octahedra that share corners with two equivalent O(3)Ca4Mn2 octahedra, corners with two equivalent O(9)SrCa3Mn2 octahedra,  a faceface with one O(13)Ca4Mn2 octahedra,  a faceface with one O(3)Ca4Mn2 octahedra,  a faceface with one O(5)Ca4Mn2 octahedra,  a faceface with one O(4)SrCa3Mn2 octahedra, and  a faceface with one O(9)SrCa3Mn2 octahedra. The corner-sharing octahedral tilt angles range from 5-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCa7Mn7CrO23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.648
_cell_length_b   7.648
_cell_length_c   7.707
_cell_angle_alpha   89.961
_cell_angle_beta   89.961
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   450.847
_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
  Sr  Sr0  1  0.256  0.256  0.251  1.0
  Ca  Ca1  1  0.266  0.266  0.742  1.0
  Ca  Ca2  1  0.260  0.742  0.253  1.0
  Ca  Ca3  1  0.266  0.736  0.741  1.0
  Ca  Ca4  1  0.742  0.260  0.253  1.0
  Ca  Ca5  1  0.736  0.266  0.741  1.0
  Ca  Ca6  1  0.742  0.742  0.253  1.0
  Ca  Ca7  1  0.734  0.734  0.741  1.0
  Mn  Mn8  1  0.999  0.999  0.505  1.0
  Mn  Mn9  1  0.999  0.502  0.002  1.0
  Mn  Mn10  1  0.999  0.501  0.496  1.0
  Mn  Mn11  1  0.502  0.999  0.002  1.0
  Mn  Mn12  1  0.501  0.999  0.496  1.0
  Mn  Mn13  1  0.501  0.501  0.999  1.0
  Mn  Mn14  1  0.501  0.501  0.498  1.0
  Cr  Cr15  1  0.999  0.999  0.987  1.0
  O  O16  1  0.996  0.996  0.758  1.0
  O  O17  1  0.996  0.498  0.250  1.0
  O  O18  1  0.998  0.504  0.750  1.0
  O  O19  1  0.498  0.996  0.250  1.0
  O  O20  1  0.504  0.998  0.750  1.0
  O  O21  1  0.503  0.503  0.250  1.0
  O  O22  1  0.501  0.501  0.749  1.0
  O  O23  1  0.239  0.997  0.027  1.0
  O  O24  1  0.248  0.996  0.482  1.0
  O  O25  1  0.249  0.503  0.991  1.0
  O  O26  1  0.250  0.503  0.509  1.0
  O  O27  1  0.761  0.999  0.035  1.0
  O  O28  1  0.753  0.999  0.472  1.0
  O  O29  1  0.751  0.501  0.993  1.0
  O  O30  1  0.750  0.502  0.507  1.0
  O  O31  1  0.997  0.239  0.027  1.0
  O  O32  1  0.996  0.248  0.482  1.0
  O  O33  1  0.999  0.761  0.035  1.0
  O  O34  1  0.999  0.753  0.472  1.0
  O  O35  1  0.503  0.249  0.991  1.0
  O  O36  1  0.503  0.250  0.509  1.0
  O  O37  1  0.501  0.751  0.993  1.0
  O  O38  1  0.502  0.750  0.507  1.0
[/CIF]
.
The material structure described by SrCa7CrMn7O23 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a distorted q6 geometry to one O(4), two equivalent O(2), two equivalent O(6), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(5), two equivalent O(3), two equivalent O(6), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms to form distorted CaO12 cuboctahedra that share corners with four equivalent Ca(5)O12 cuboctahedra, faces with four equivalent Ca(3)O12 cuboctahedra,  a faceface with one Mn(4)O6 octahedra,  a faceface with one Mn(5)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra,  a faceface with one Cr(1)O5 square pyramid, and  a faceface with one Mn(1)O5 square pyramid. In the second Ca site, Ca(2) is bonded in a distorted q6 geometry to one O(10), one O(11), one O(12), one O(13), one O(4), one O(6), one O(7), one O(8), one O(9), and two equivalent O(2) atoms. In the third Ca site, Ca(3) is bonded to one O(1), one O(10), one O(11), one O(12), one O(13), one O(5), one O(6), one O(7), one O(8), one O(9), and two equivalent O(3) atoms to form distorted CaO12 cuboctahedra that share corners with four equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(5)O12 cuboctahedra,  a faceface with one Mn(4)O6 octahedra,  a faceface with one Mn(5)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra,  a faceface with one Cr(1)O5 square pyramid, and  a faceface with one Mn(1)O5 square pyramid. In the fourth Ca site, Ca(4) is bonded in a distorted q6 geometry to one O(4), two equivalent O(10), two equivalent O(11), two equivalent O(12), two equivalent O(13), and two equivalent O(2) atoms. In the fifth Ca site, Ca(5) is bonded to one O(1), one O(5), two equivalent O(10), two equivalent O(11), two equivalent O(12), two equivalent O(13), and two equivalent O(3) atoms to form distorted CaO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Ca(3)O12 cuboctahedra,  a faceface with one Mn(4)O6 octahedra,  a faceface with one Mn(5)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra,  a faceface with one Cr(1)O5 square pyramid, and  a faceface with one Mn(1)O5 square pyramid. Cr(1) is bonded to one O(1), two equivalent O(10), and two equivalent O(6) atoms to form CrO5 square pyramids that share corners with four equivalent Mn(2)O6 octahedra,  a cornercorner with one Mn(1)O5 square pyramid,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(5)O12 cuboctahedra, and faces with two equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 15-19°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), two equivalent O(11), and two equivalent O(7) atoms to form MnO5 square pyramids that share corners with four equivalent Mn(3)O6 octahedra,  a cornercorner with one Cr(1)O5 square pyramid,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(5)O12 cuboctahedra, and faces with two equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Cr(1)O5 square pyramids,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(5)O12 cuboctahedra, and faces with two equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third Mn site, Mn(3) is bonded to one O(11), one O(13), one O(2), one O(3), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(1)O5 square pyramids,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(5)O12 cuboctahedra, and faces with two equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(5), two equivalent O(12), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(5)O12 cuboctahedra, and faces with two equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth Mn site, Mn(5) is bonded to one O(4), one O(5), two equivalent O(13), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(5)O12 cuboctahedra, and faces with two equivalent Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ca(1), one Ca(5), two equivalent Ca(3), one Cr(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one Ca(4), two equivalent Ca(2), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded to one Ca(1), one Ca(5), two equivalent Ca(3), one Mn(2), and one Mn(3) atom to form distorted OCa4Mn2 octahedra that share corners with two equivalent O(13)Ca4Mn2 octahedra, corners with two equivalent O(9)SrCa3Mn2 octahedra, corners with four equivalent O(3)Ca4Mn2 octahedra, edges with two equivalent O(5)Ca4Mn2 octahedra,  a faceface with one O(13)Ca4Mn2 octahedra, and  a faceface with one O(9)SrCa3Mn2 octahedra. The corner-sharing octahedral tilt angles range from 7-55°. In the fourth O site, O(4) is bonded to one Sr(1), one Ca(4), two equivalent Ca(2), one Mn(4), and one Mn(5) atom to form distorted OSrCa3Mn2 octahedra that share corners with two equivalent O(5)Ca4Mn2 octahedra, faces with two equivalent O(13)Ca4Mn2 octahedra, and faces with two equivalent O(9)SrCa3Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(5), two equivalent Ca(3), one Mn(4), and one Mn(5) atom to form distorted OCa4Mn2 octahedra that share corners with two equivalent O(4)SrCa3Mn2 octahedra, edges with four equivalent O(3)Ca4Mn2 octahedra, faces with two equivalent O(13)Ca4Mn2 octahedra, and faces with two equivalent O(9)SrCa3Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Cr(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(1), and one Mn(3) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(2), and one Mn(4) atom. In the ninth O site, O(9) is bonded to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(3), and one Mn(5) atom to form distorted OSrCa3Mn2 octahedra that share corners with two equivalent O(13)Ca4Mn2 octahedra, corners with two equivalent O(3)Ca4Mn2 octahedra,  a faceface with one O(13)Ca4Mn2 octahedra,  a faceface with one O(3)Ca4Mn2 octahedra,  a faceface with one O(5)Ca4Mn2 octahedra,  a faceface with one O(4)SrCa3Mn2 octahedra, and  a faceface with one O(9)SrCa3Mn2 octahedra. The corner-sharing octahedral tilt angles range from 5-55°. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Ca(5), one Cr(1), and one Mn(2) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Ca(5), one Mn(1), and one Mn(3) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Ca(2), one Ca(3), one Ca(4), one Ca(5), one Mn(2), and one Mn(4) atom. In the thirteenth O site, O(13) is bonded to one Ca(2), one Ca(3), one Ca(4), one Ca(5), one Mn(3), and one Mn(5) atom to form distorted OCa4Mn2 octahedra that share corners with two equivalent O(3)Ca4Mn2 octahedra, corners with two equivalent O(9)SrCa3Mn2 octahedra,  a faceface with one O(13)Ca4Mn2 octahedra,  a faceface with one O(3)Ca4Mn2 octahedra,  a faceface with one O(5)Ca4Mn2 octahedra,  a faceface with one O(4)SrCa3Mn2 octahedra, and  a faceface with one O(9)SrCa3Mn2 octahedra. The corner-sharing octahedral tilt angles range from 5-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCa7Mn7CrO23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.648
_cell_length_b   7.648
_cell_length_c   7.707
_cell_angle_alpha   89.961
_cell_angle_beta   89.961
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   450.847
_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
  Sr  Sr0  1  0.256  0.256  0.251  1.0
  Ca  Ca1  1  0.266  0.266  0.742  1.0
  Ca  Ca2  1  0.260  0.742  0.253  1.0
  Ca  Ca3  1  0.266  0.736  0.741  1.0
  Ca  Ca4  1  0.742  0.260  0.253  1.0
  Ca  Ca5  1  0.736  0.266  0.741  1.0
  Ca  Ca6  1  0.742  0.742  0.253  1.0
  Ca  Ca7  1  0.734  0.734  0.741  1.0
  Mn  Mn8  1  0.999  0.999  0.505  1.0
  Mn  Mn9  1  0.999  0.502  0.002  1.0
  Mn  Mn10  1  0.999  0.501  0.496  1.0
  Mn  Mn11  1  0.502  0.999  0.002  1.0
  Mn  Mn12  1  0.501  0.999  0.496  1.0
  Mn  Mn13  1  0.501  0.501  0.999  1.0
  Mn  Mn14  1  0.501  0.501  0.498  1.0
  Cr  Cr15  1  0.999  0.999  0.987  1.0
  O  O16  1  0.996  0.996  0.758  1.0
  O  O17  1  0.996  0.498  0.250  1.0
  O  O18  1  0.998  0.504  0.750  1.0
  O  O19  1  0.498  0.996  0.250  1.0
  O  O20  1  0.504  0.998  0.750  1.0
  O  O21  1  0.503  0.503  0.250  1.0
  O  O22  1  0.501  0.501  0.749  1.0
  O  O23  1  0.239  0.997  0.027  1.0
  O  O24  1  0.248  0.996  0.482  1.0
  O  O25  1  0.249  0.503  0.991  1.0
  O  O26  1  0.250  0.503  0.509  1.0
  O  O27  1  0.761  0.999  0.035  1.0
  O  O28  1  0.753  0.999  0.472  1.0
  O  O29  1  0.751  0.501  0.993  1.0
  O  O30  1  0.750  0.502  0.507  1.0
  O  O31  1  0.997  0.239  0.027  1.0
  O  O32  1  0.996  0.248  0.482  1.0
  O  O33  1  0.999  0.761  0.035  1.0
  O  O34  1  0.999  0.753  0.472  1.0
  O  O35  1  0.503  0.249  0.991  1.0
  O  O36  1  0.503  0.250  0.509  1.0
  O  O37  1  0.501  0.751  0.993  1.0
  O  O38  1  0.502  0.750  0.507  1.0
[/CIF]
.