The material described by Ba3In2F12 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a body-centered cubic geometry to eight equivalent F(2) atoms. In the second Ba site, Ba(2) is bonded to two equivalent F(1), two equivalent F(3), and eight equivalent F(2) atoms to form distorted BaF12 cuboctahedra that share corners with two equivalent Ba(2)F12 cuboctahedra, edges with five equivalent Ba(2)F12 cuboctahedra, edges with four equivalent In(1)F7 pentagonal bipyramids, and faces with two equivalent In(1)F7 pentagonal bipyramids. In(1) is bonded to one F(1), two equivalent F(3), and four equivalent F(2) atoms to form distorted InF7 pentagonal bipyramids that share edges with four equivalent Ba(2)F12 cuboctahedra,  an edgeedge with one In(1)F7 pentagonal bipyramid, and faces with two equivalent Ba(2)F12 cuboctahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Ba(2) and one In(1) atom. In the second F site, F(2) is bonded to one Ba(1), two equivalent Ba(2), and one In(1) atom to form distorted FBa3In tetrahedra that share corners with four equivalent F(3)Ba2In2 tetrahedra, corners with fourteen equivalent F(2)Ba3In tetrahedra,  an edgeedge with one F(3)Ba2In2 tetrahedra, and edges with five equivalent F(2)Ba3In tetrahedra. In the third F site, F(3) is bonded to two equivalent Ba(2) and two equivalent In(1) atoms to form distorted FBa2In2 tetrahedra that share corners with sixteen equivalent F(2)Ba3In tetrahedra, edges with two equivalent F(3)Ba2In2 tetrahedra, and edges with four equivalent F(2)Ba3In tetrahedra. is represented by the CIF file [CIF]
data_Ba3In2F12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.578
_cell_length_b   9.578
_cell_length_c   5.655
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   518.690
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.500  0.500  0.000  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ba  Ba2  1  0.320  0.820  0.500  1.0
  Ba  Ba3  1  0.820  0.680  0.500  1.0
  Ba  Ba4  1  0.180  0.320  0.500  1.0
  Ba  Ba5  1  0.680  0.180  0.500  1.0
  In  In6  1  0.133  0.633  0.000  1.0
  In  In7  1  0.633  0.867  0.000  1.0
  In  In8  1  0.367  0.133  0.000  1.0
  In  In9  1  0.867  0.367  0.000  1.0
  F  F10  1  0.293  0.793  0.000  1.0
  F  F11  1  0.793  0.707  0.000  1.0
  F  F12  1  0.207  0.293  0.000  1.0
  F  F13  1  0.707  0.207  0.000  1.0
  F  F14  1  0.556  0.727  0.258  1.0
  F  F15  1  0.444  0.273  0.258  1.0
  F  F16  1  0.273  0.556  0.258  1.0
  F  F17  1  0.727  0.444  0.258  1.0
  F  F18  1  0.227  0.056  0.742  1.0
  F  F19  1  0.056  0.773  0.742  1.0
  F  F20  1  0.500  0.000  0.778  1.0
  F  F21  1  0.000  0.500  0.778  1.0
  F  F22  1  0.000  0.500  0.222  1.0
  F  F23  1  0.500  0.000  0.222  1.0
  F  F24  1  0.227  0.056  0.258  1.0
  F  F25  1  0.056  0.773  0.258  1.0
  F  F26  1  0.944  0.227  0.258  1.0
  F  F27  1  0.773  0.944  0.258  1.0
  F  F28  1  0.273  0.556  0.742  1.0
  F  F29  1  0.727  0.444  0.742  1.0
  F  F30  1  0.556  0.727  0.742  1.0
  F  F31  1  0.444  0.273  0.742  1.0
  F  F32  1  0.773  0.944  0.742  1.0
  F  F33  1  0.944  0.227  0.742  1.0
[/CIF]
.
The material described by Ba3In2F12 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a body-centered cubic geometry to eight equivalent F(2) atoms. In the second Ba site, Ba(2) is bonded to two equivalent F(1), two equivalent F(3), and eight equivalent F(2) atoms to form distorted BaF12 cuboctahedra that share corners with two equivalent Ba(2)F12 cuboctahedra, edges with five equivalent Ba(2)F12 cuboctahedra, edges with four equivalent In(1)F7 pentagonal bipyramids, and faces with two equivalent In(1)F7 pentagonal bipyramids. In(1) is bonded to one F(1), two equivalent F(3), and four equivalent F(2) atoms to form distorted InF7 pentagonal bipyramids that share edges with four equivalent Ba(2)F12 cuboctahedra,  an edgeedge with one In(1)F7 pentagonal bipyramid, and faces with two equivalent Ba(2)F12 cuboctahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Ba(2) and one In(1) atom. In the second F site, F(2) is bonded to one Ba(1), two equivalent Ba(2), and one In(1) atom to form distorted FBa3In tetrahedra that share corners with four equivalent F(3)Ba2In2 tetrahedra, corners with fourteen equivalent F(2)Ba3In tetrahedra,  an edgeedge with one F(3)Ba2In2 tetrahedra, and edges with five equivalent F(2)Ba3In tetrahedra. In the third F site, F(3) is bonded to two equivalent Ba(2) and two equivalent In(1) atoms to form distorted FBa2In2 tetrahedra that share corners with sixteen equivalent F(2)Ba3In tetrahedra, edges with two equivalent F(3)Ba2In2 tetrahedra, and edges with four equivalent F(2)Ba3In tetrahedra. is represented by the CIF file [CIF]
data_Ba3In2F12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.578
_cell_length_b   9.578
_cell_length_c   5.655
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   518.690
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.500  0.500  0.000  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ba  Ba2  1  0.320  0.820  0.500  1.0
  Ba  Ba3  1  0.820  0.680  0.500  1.0
  Ba  Ba4  1  0.180  0.320  0.500  1.0
  Ba  Ba5  1  0.680  0.180  0.500  1.0
  In  In6  1  0.133  0.633  0.000  1.0
  In  In7  1  0.633  0.867  0.000  1.0
  In  In8  1  0.367  0.133  0.000  1.0
  In  In9  1  0.867  0.367  0.000  1.0
  F  F10  1  0.293  0.793  0.000  1.0
  F  F11  1  0.793  0.707  0.000  1.0
  F  F12  1  0.207  0.293  0.000  1.0
  F  F13  1  0.707  0.207  0.000  1.0
  F  F14  1  0.556  0.727  0.258  1.0
  F  F15  1  0.444  0.273  0.258  1.0
  F  F16  1  0.273  0.556  0.258  1.0
  F  F17  1  0.727  0.444  0.258  1.0
  F  F18  1  0.227  0.056  0.742  1.0
  F  F19  1  0.056  0.773  0.742  1.0
  F  F20  1  0.500  0.000  0.778  1.0
  F  F21  1  0.000  0.500  0.778  1.0
  F  F22  1  0.000  0.500  0.222  1.0
  F  F23  1  0.500  0.000  0.222  1.0
  F  F24  1  0.227  0.056  0.258  1.0
  F  F25  1  0.056  0.773  0.258  1.0
  F  F26  1  0.944  0.227  0.258  1.0
  F  F27  1  0.773  0.944  0.258  1.0
  F  F28  1  0.273  0.556  0.742  1.0
  F  F29  1  0.727  0.444  0.742  1.0
  F  F30  1  0.556  0.727  0.742  1.0
  F  F31  1  0.444  0.273  0.742  1.0
  F  F32  1  0.773  0.944  0.742  1.0
  F  F33  1  0.944  0.227  0.742  1.0
[/CIF]
.