The material described by LiSc4(FeO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(3), one O(7), and one O(8) atom. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Sc site, Sc(2) is bonded to one O(12), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form distorted ScO6 octahedra that share corners with two equivalent Fe(4)O6 octahedra and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. In the third Sc site, Sc(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(8), and one O(9) atom. In the fourth Sc site, Sc(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(6), and one O(9) atom to form distorted ScO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) 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 FeO6 octahedra that share corners with two equivalent Sc(4)O6 octahedra and edges with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(4), one O(7), and one O(9) atom. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one O(8) atom. In the fourth Fe site, Fe(4) 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 FeO6 octahedra that share corners with two equivalent Sc(2)O6 octahedra and edges with two equivalent Sc(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sc(3), one Sc(4), one Fe(1), and one Fe(3) atom to form OSc2Fe2 trigonal pyramids that share corners with two equivalent O(9)Sc2Fe2 tetrahedra, corners with three equivalent O(10)LiSc2Fe tetrahedra,  a cornercorner with one O(12)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(8)LiSc2Fe2 trigonal bipyramid, corners with two equivalent O(11)Sc3Fe2 trigonal bipyramids,  an edgeedge with one O(3)LiSc2Fe2 square pyramid, and  an edgeedge with one O(8)LiSc2Fe2 trigonal bipyramid. In the second O site, O(2) is bonded in a see-saw-like geometry to one Sc(1), one Sc(4), one Fe(2), and one Fe(4) atom. In the third O site, O(3) is bonded to one Li(1), one Sc(1), one Sc(2), one Fe(1), and one Fe(3) atom to form distorted OLiSc2Fe2 square pyramids that share corners with two equivalent O(10)LiSc2Fe tetrahedra,  a cornercorner with one O(7)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(11)Sc3Fe2 trigonal bipyramid, corners with two equivalent O(12)LiSc2Fe2 trigonal bipyramids, corners with two equivalent O(4)Sc2Fe2 trigonal pyramids,  an edgeedge with one O(12)LiSc2Fe2 trigonal bipyramid,  an edgeedge with one O(7)LiSc2Fe2 trigonal bipyramid, edges with two equivalent O(8)LiSc2Fe2 trigonal bipyramids, and  an edgeedge with one O(1)Sc2Fe2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Sc(1), one Sc(2), one Fe(2), and one Fe(4) atom to form distorted OSc2Fe2 trigonal pyramids that share corners with two equivalent O(3)LiSc2Fe2 square pyramids, corners with two equivalent O(9)Sc2Fe2 tetrahedra,  a cornercorner with one O(12)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(8)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(11)Sc3Fe2 trigonal bipyramid, corners with four equivalent O(7)LiSc2Fe2 trigonal bipyramids,  an edgeedge with one O(12)LiSc2Fe2 trigonal bipyramid, and  an edgeedge with one O(11)Sc3Fe2 trigonal bipyramid. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sc(1), one Sc(2), one Fe(1), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Sc(3), one Sc(4), one Fe(3), and one Fe(4) atom. In the seventh O site, O(7) is bonded to one Li(1), one Sc(1), one Sc(2), one Fe(2), and one Fe(4) atom to form distorted OLiSc2Fe2 trigonal bipyramids that share  a cornercorner with one O(3)LiSc2Fe2 square pyramid,  a cornercorner with one O(10)LiSc2Fe tetrahedra,  a cornercorner with one O(11)Sc3Fe2 trigonal bipyramid, corners with four equivalent O(4)Sc2Fe2 trigonal pyramids,  an edgeedge with one O(3)LiSc2Fe2 square pyramid,  an edgeedge with one O(9)Sc2Fe2 tetrahedra,  an edgeedge with one O(8)LiSc2Fe2 trigonal bipyramid,  an edgeedge with one O(11)Sc3Fe2 trigonal bipyramid, and edges with two equivalent O(12)LiSc2Fe2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Li(1), one Sc(2), one Sc(3), one Fe(1), and one Fe(3) atom to form distorted OLiSc2Fe2 trigonal bipyramids that share  a cornercorner with one O(10)LiSc2Fe tetrahedra,  a cornercorner with one O(9)Sc2Fe2 tetrahedra,  a cornercorner with one O(12)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(11)Sc3Fe2 trigonal bipyramid,  a cornercorner with one O(1)Sc2Fe2 trigonal pyramid,  a cornercorner with one O(4)Sc2Fe2 trigonal pyramid, edges with two equivalent O(3)LiSc2Fe2 square pyramids,  an edgeedge with one O(10)LiSc2Fe tetrahedra,  an edgeedge with one O(12)LiSc2Fe2 trigonal bipyramid,  an edgeedge with one O(7)LiSc2Fe2 trigonal bipyramid, and  an edgeedge with one O(1)Sc2Fe2 trigonal pyramid. In the ninth O site, O(9) is bonded to one Sc(3), one Sc(4), one Fe(2), and one Fe(4) atom to form OSc2Fe2 tetrahedra that share corners with two equivalent O(10)LiSc2Fe tetrahedra,  a cornercorner with one O(12)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(8)LiSc2Fe2 trigonal bipyramid, corners with two equivalent O(1)Sc2Fe2 trigonal pyramids, corners with two equivalent O(4)Sc2Fe2 trigonal pyramids,  an edgeedge with one O(7)LiSc2Fe2 trigonal bipyramid, and edges with two equivalent O(11)Sc3Fe2 trigonal bipyramids. In the tenth O site, O(10) is bonded to one Li(1), one Sc(3), one Sc(4), and one Fe(1) atom to form distorted OLiSc2Fe tetrahedra that share corners with two equivalent O(3)LiSc2Fe2 square pyramids, corners with two equivalent O(9)Sc2Fe2 tetrahedra,  a cornercorner with one O(7)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(8)LiSc2Fe2 trigonal bipyramid, corners with three equivalent O(1)Sc2Fe2 trigonal pyramids,  an edgeedge with one O(12)LiSc2Fe2 trigonal bipyramid,  an edgeedge with one O(8)LiSc2Fe2 trigonal bipyramid, and  an edgeedge with one O(11)Sc3Fe2 trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Sc(1), one Sc(3), one Sc(4), one Fe(2), and one Fe(4) atom to form distorted OSc3Fe2 trigonal bipyramids that share  a cornercorner with one O(3)LiSc2Fe2 square pyramid,  a cornercorner with one O(7)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(8)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(4)Sc2Fe2 trigonal pyramid, corners with two equivalent O(1)Sc2Fe2 trigonal pyramids,  an edgeedge with one O(10)LiSc2Fe tetrahedra, edges with two equivalent O(9)Sc2Fe2 tetrahedra,  an edgeedge with one O(12)LiSc2Fe2 trigonal bipyramid,  an edgeedge with one O(7)LiSc2Fe2 trigonal bipyramid, and  an edgeedge with one O(4)Sc2Fe2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), one Sc(1), one Sc(2), one Fe(1), and one Fe(2) atom to form distorted OLiSc2Fe2 trigonal bipyramids that share corners with two equivalent O(3)LiSc2Fe2 square pyramids,  a cornercorner with one O(9)Sc2Fe2 tetrahedra,  a cornercorner with one O(8)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(1)Sc2Fe2 trigonal pyramid,  a cornercorner with one O(4)Sc2Fe2 trigonal pyramid,  an edgeedge with one O(3)LiSc2Fe2 square pyramid,  an edgeedge with one O(10)LiSc2Fe tetrahedra,  an edgeedge with one O(8)LiSc2Fe2 trigonal bipyramid,  an edgeedge with one O(11)Sc3Fe2 trigonal bipyramid, edges with two equivalent O(7)LiSc2Fe2 trigonal bipyramids, and  an edgeedge with one O(4)Sc2Fe2 trigonal pyramid. is represented by the CIF file [CIF]
data_LiSc4(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   5.237
_cell_length_c   8.437
_cell_angle_alpha   88.658
_cell_angle_beta   93.979
_cell_angle_gamma   93.204
_symmetry_Int_Tables_number   1
_cell_volume   230.450
_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
  Li  Li0  1  0.754  0.017  0.927  1.0
  Sc  Sc1  1  0.088  0.935  0.715  1.0
  Sc  Sc2  1  0.482  0.470  0.795  1.0
  Sc  Sc3  1  0.567  0.557  0.227  1.0
  Sc  Sc4  1  0.008  0.040  0.301  1.0
  Fe  Fe5  1  0.010  0.524  0.002  1.0
  Fe  Fe6  1  0.927  0.441  0.562  1.0
  Fe  Fe7  1  0.354  0.061  0.065  1.0
  Fe  Fe8  1  0.521  0.981  0.497  1.0
  O  O9  1  0.199  0.362  0.187  1.0
  O  O10  1  0.186  0.179  0.528  1.0
  O  O11  1  0.166  0.233  0.869  1.0
  O  O12  1  0.316  0.688  0.611  1.0
  O  O13  1  0.319  0.744  0.931  1.0
  O  O14  1  0.364  0.875  0.284  1.0
  O  O15  1  0.705  0.166  0.686  1.0
  O  O16  1  0.666  0.334  0.026  1.0
  O  O17  1  0.720  0.276  0.376  1.0
  O  O18  1  0.851  0.807  0.118  1.0
  O  O19  1  0.817  0.764  0.455  1.0
  O  O20  1  0.842  0.647  0.780  1.0
[/CIF]
.
The material described by LiSc4(FeO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(3), one O(7), and one O(8) atom. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Sc site, Sc(2) is bonded to one O(12), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form distorted ScO6 octahedra that share corners with two equivalent Fe(4)O6 octahedra and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. In the third Sc site, Sc(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(8), and one O(9) atom. In the fourth Sc site, Sc(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(6), and one O(9) atom to form distorted ScO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) 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 FeO6 octahedra that share corners with two equivalent Sc(4)O6 octahedra and edges with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(4), one O(7), and one O(9) atom. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one O(8) atom. In the fourth Fe site, Fe(4) 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 FeO6 octahedra that share corners with two equivalent Sc(2)O6 octahedra and edges with two equivalent Sc(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sc(3), one Sc(4), one Fe(1), and one Fe(3) atom to form OSc2Fe2 trigonal pyramids that share corners with two equivalent O(9)Sc2Fe2 tetrahedra, corners with three equivalent O(10)LiSc2Fe tetrahedra,  a cornercorner with one O(12)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(8)LiSc2Fe2 trigonal bipyramid, corners with two equivalent O(11)Sc3Fe2 trigonal bipyramids,  an edgeedge with one O(3)LiSc2Fe2 square pyramid, and  an edgeedge with one O(8)LiSc2Fe2 trigonal bipyramid. In the second O site, O(2) is bonded in a see-saw-like geometry to one Sc(1), one Sc(4), one Fe(2), and one Fe(4) atom. In the third O site, O(3) is bonded to one Li(1), one Sc(1), one Sc(2), one Fe(1), and one Fe(3) atom to form distorted OLiSc2Fe2 square pyramids that share corners with two equivalent O(10)LiSc2Fe tetrahedra,  a cornercorner with one O(7)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(11)Sc3Fe2 trigonal bipyramid, corners with two equivalent O(12)LiSc2Fe2 trigonal bipyramids, corners with two equivalent O(4)Sc2Fe2 trigonal pyramids,  an edgeedge with one O(12)LiSc2Fe2 trigonal bipyramid,  an edgeedge with one O(7)LiSc2Fe2 trigonal bipyramid, edges with two equivalent O(8)LiSc2Fe2 trigonal bipyramids, and  an edgeedge with one O(1)Sc2Fe2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Sc(1), one Sc(2), one Fe(2), and one Fe(4) atom to form distorted OSc2Fe2 trigonal pyramids that share corners with two equivalent O(3)LiSc2Fe2 square pyramids, corners with two equivalent O(9)Sc2Fe2 tetrahedra,  a cornercorner with one O(12)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(8)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(11)Sc3Fe2 trigonal bipyramid, corners with four equivalent O(7)LiSc2Fe2 trigonal bipyramids,  an edgeedge with one O(12)LiSc2Fe2 trigonal bipyramid, and  an edgeedge with one O(11)Sc3Fe2 trigonal bipyramid. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sc(1), one Sc(2), one Fe(1), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Sc(3), one Sc(4), one Fe(3), and one Fe(4) atom. In the seventh O site, O(7) is bonded to one Li(1), one Sc(1), one Sc(2), one Fe(2), and one Fe(4) atom to form distorted OLiSc2Fe2 trigonal bipyramids that share  a cornercorner with one O(3)LiSc2Fe2 square pyramid,  a cornercorner with one O(10)LiSc2Fe tetrahedra,  a cornercorner with one O(11)Sc3Fe2 trigonal bipyramid, corners with four equivalent O(4)Sc2Fe2 trigonal pyramids,  an edgeedge with one O(3)LiSc2Fe2 square pyramid,  an edgeedge with one O(9)Sc2Fe2 tetrahedra,  an edgeedge with one O(8)LiSc2Fe2 trigonal bipyramid,  an edgeedge with one O(11)Sc3Fe2 trigonal bipyramid, and edges with two equivalent O(12)LiSc2Fe2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Li(1), one Sc(2), one Sc(3), one Fe(1), and one Fe(3) atom to form distorted OLiSc2Fe2 trigonal bipyramids that share  a cornercorner with one O(10)LiSc2Fe tetrahedra,  a cornercorner with one O(9)Sc2Fe2 tetrahedra,  a cornercorner with one O(12)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(11)Sc3Fe2 trigonal bipyramid,  a cornercorner with one O(1)Sc2Fe2 trigonal pyramid,  a cornercorner with one O(4)Sc2Fe2 trigonal pyramid, edges with two equivalent O(3)LiSc2Fe2 square pyramids,  an edgeedge with one O(10)LiSc2Fe tetrahedra,  an edgeedge with one O(12)LiSc2Fe2 trigonal bipyramid,  an edgeedge with one O(7)LiSc2Fe2 trigonal bipyramid, and  an edgeedge with one O(1)Sc2Fe2 trigonal pyramid. In the ninth O site, O(9) is bonded to one Sc(3), one Sc(4), one Fe(2), and one Fe(4) atom to form OSc2Fe2 tetrahedra that share corners with two equivalent O(10)LiSc2Fe tetrahedra,  a cornercorner with one O(12)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(8)LiSc2Fe2 trigonal bipyramid, corners with two equivalent O(1)Sc2Fe2 trigonal pyramids, corners with two equivalent O(4)Sc2Fe2 trigonal pyramids,  an edgeedge with one O(7)LiSc2Fe2 trigonal bipyramid, and edges with two equivalent O(11)Sc3Fe2 trigonal bipyramids. In the tenth O site, O(10) is bonded to one Li(1), one Sc(3), one Sc(4), and one Fe(1) atom to form distorted OLiSc2Fe tetrahedra that share corners with two equivalent O(3)LiSc2Fe2 square pyramids, corners with two equivalent O(9)Sc2Fe2 tetrahedra,  a cornercorner with one O(7)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(8)LiSc2Fe2 trigonal bipyramid, corners with three equivalent O(1)Sc2Fe2 trigonal pyramids,  an edgeedge with one O(12)LiSc2Fe2 trigonal bipyramid,  an edgeedge with one O(8)LiSc2Fe2 trigonal bipyramid, and  an edgeedge with one O(11)Sc3Fe2 trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Sc(1), one Sc(3), one Sc(4), one Fe(2), and one Fe(4) atom to form distorted OSc3Fe2 trigonal bipyramids that share  a cornercorner with one O(3)LiSc2Fe2 square pyramid,  a cornercorner with one O(7)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(8)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(4)Sc2Fe2 trigonal pyramid, corners with two equivalent O(1)Sc2Fe2 trigonal pyramids,  an edgeedge with one O(10)LiSc2Fe tetrahedra, edges with two equivalent O(9)Sc2Fe2 tetrahedra,  an edgeedge with one O(12)LiSc2Fe2 trigonal bipyramid,  an edgeedge with one O(7)LiSc2Fe2 trigonal bipyramid, and  an edgeedge with one O(4)Sc2Fe2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), one Sc(1), one Sc(2), one Fe(1), and one Fe(2) atom to form distorted OLiSc2Fe2 trigonal bipyramids that share corners with two equivalent O(3)LiSc2Fe2 square pyramids,  a cornercorner with one O(9)Sc2Fe2 tetrahedra,  a cornercorner with one O(8)LiSc2Fe2 trigonal bipyramid,  a cornercorner with one O(1)Sc2Fe2 trigonal pyramid,  a cornercorner with one O(4)Sc2Fe2 trigonal pyramid,  an edgeedge with one O(3)LiSc2Fe2 square pyramid,  an edgeedge with one O(10)LiSc2Fe tetrahedra,  an edgeedge with one O(8)LiSc2Fe2 trigonal bipyramid,  an edgeedge with one O(11)Sc3Fe2 trigonal bipyramid, edges with two equivalent O(7)LiSc2Fe2 trigonal bipyramids, and  an edgeedge with one O(4)Sc2Fe2 trigonal pyramid. is represented by the CIF file [CIF]
data_LiSc4(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   5.237
_cell_length_c   8.437
_cell_angle_alpha   88.658
_cell_angle_beta   93.979
_cell_angle_gamma   93.204
_symmetry_Int_Tables_number   1
_cell_volume   230.450
_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
  Li  Li0  1  0.754  0.017  0.927  1.0
  Sc  Sc1  1  0.088  0.935  0.715  1.0
  Sc  Sc2  1  0.482  0.470  0.795  1.0
  Sc  Sc3  1  0.567  0.557  0.227  1.0
  Sc  Sc4  1  0.008  0.040  0.301  1.0
  Fe  Fe5  1  0.010  0.524  0.002  1.0
  Fe  Fe6  1  0.927  0.441  0.562  1.0
  Fe  Fe7  1  0.354  0.061  0.065  1.0
  Fe  Fe8  1  0.521  0.981  0.497  1.0
  O  O9  1  0.199  0.362  0.187  1.0
  O  O10  1  0.186  0.179  0.528  1.0
  O  O11  1  0.166  0.233  0.869  1.0
  O  O12  1  0.316  0.688  0.611  1.0
  O  O13  1  0.319  0.744  0.931  1.0
  O  O14  1  0.364  0.875  0.284  1.0
  O  O15  1  0.705  0.166  0.686  1.0
  O  O16  1  0.666  0.334  0.026  1.0
  O  O17  1  0.720  0.276  0.376  1.0
  O  O18  1  0.851  0.807  0.118  1.0
  O  O19  1  0.817  0.764  0.455  1.0
  O  O20  1  0.842  0.647  0.780  1.0
[/CIF]
.