The compound described by Ba3La2Br12 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 Br(2) atoms. In the second Ba site, Ba(2) is bonded to two equivalent Br(1), two equivalent Br(3), and eight equivalent Br(2) atoms to form BaBr12 cuboctahedra that share corners with two equivalent Ba(2)Br12 cuboctahedra, edges with five equivalent Ba(2)Br12 cuboctahedra, edges with four equivalent La(1)Br7 pentagonal bipyramids, and faces with two equivalent La(1)Br7 pentagonal bipyramids. La(1) is bonded to one Br(3), two equivalent Br(1), and four equivalent Br(2) atoms to form distorted LaBr7 pentagonal bipyramids that share edges with four equivalent Ba(2)Br12 cuboctahedra,  an edgeedge with one La(1)Br7 pentagonal bipyramid, and faces with two equivalent Ba(2)Br12 cuboctahedra. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Ba(2) and two equivalent La(1) atoms to form BrBa2La2 tetrahedra that share corners with sixteen equivalent Br(2)Ba3La tetrahedra, edges with two equivalent Br(1)Ba2La2 tetrahedra, and edges with four equivalent Br(2)Ba3La tetrahedra. In the second Br site, Br(2) is bonded to one Ba(1), two equivalent Ba(2), and one La(1) atom to form distorted BrBa3La tetrahedra that share corners with four equivalent Br(1)Ba2La2 tetrahedra, corners with fourteen equivalent Br(2)Ba3La tetrahedra,  an edgeedge with one Br(1)Ba2La2 tetrahedra, and edges with five equivalent Br(2)Ba3La tetrahedra. In the third Br site, Br(3) is bonded in a distorted T-shaped geometry to two equivalent Ba(2) and one La(1) atom. is represented by the CIF file [CIF]
data_Ba3La2Br12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.421
_cell_length_b   12.421
_cell_length_c   7.559
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1166.300
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.683  0.183  0.500  1.0
  Ba  Ba2  1  0.183  0.317  0.500  1.0
  Ba  Ba3  1  0.500  0.500  0.000  1.0
  Ba  Ba4  1  0.817  0.683  0.500  1.0
  Ba  Ba5  1  0.317  0.817  0.500  1.0
  La  La6  1  0.364  0.136  0.000  1.0
  La  La7  1  0.864  0.364  0.000  1.0
  La  La8  1  0.136  0.636  0.000  1.0
  La  La9  1  0.636  0.864  0.000  1.0
  Br  Br10  1  0.500  0.000  0.257  1.0
  Br  Br11  1  0.500  0.000  0.743  1.0
  Br  Br12  1  0.209  0.056  0.270  1.0
  Br  Br13  1  0.209  0.056  0.730  1.0
  Br  Br14  1  0.692  0.192  0.000  1.0
  Br  Br15  1  0.944  0.209  0.270  1.0
  Br  Br16  1  0.944  0.209  0.730  1.0
  Br  Br17  1  0.444  0.291  0.270  1.0
  Br  Br18  1  0.444  0.291  0.730  1.0
  Br  Br19  1  0.192  0.308  0.000  1.0
  Br  Br20  1  0.709  0.444  0.270  1.0
  Br  Br21  1  0.709  0.444  0.730  1.0
  Br  Br22  1  0.000  0.500  0.743  1.0
  Br  Br23  1  0.000  0.500  0.257  1.0
  Br  Br24  1  0.291  0.556  0.270  1.0
  Br  Br25  1  0.291  0.556  0.730  1.0
  Br  Br26  1  0.808  0.692  0.000  1.0
  Br  Br27  1  0.556  0.709  0.270  1.0
  Br  Br28  1  0.556  0.709  0.730  1.0
  Br  Br29  1  0.056  0.791  0.270  1.0
  Br  Br30  1  0.056  0.791  0.730  1.0
  Br  Br31  1  0.308  0.808  0.000  1.0
  Br  Br32  1  0.791  0.944  0.270  1.0
  Br  Br33  1  0.791  0.944  0.730  1.0
[/CIF]
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The compound described by Ba3La2Br12 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 Br(2) atoms. In the second Ba site, Ba(2) is bonded to two equivalent Br(1), two equivalent Br(3), and eight equivalent Br(2) atoms to form BaBr12 cuboctahedra that share corners with two equivalent Ba(2)Br12 cuboctahedra, edges with five equivalent Ba(2)Br12 cuboctahedra, edges with four equivalent La(1)Br7 pentagonal bipyramids, and faces with two equivalent La(1)Br7 pentagonal bipyramids. La(1) is bonded to one Br(3), two equivalent Br(1), and four equivalent Br(2) atoms to form distorted LaBr7 pentagonal bipyramids that share edges with four equivalent Ba(2)Br12 cuboctahedra,  an edgeedge with one La(1)Br7 pentagonal bipyramid, and faces with two equivalent Ba(2)Br12 cuboctahedra. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Ba(2) and two equivalent La(1) atoms to form BrBa2La2 tetrahedra that share corners with sixteen equivalent Br(2)Ba3La tetrahedra, edges with two equivalent Br(1)Ba2La2 tetrahedra, and edges with four equivalent Br(2)Ba3La tetrahedra. In the second Br site, Br(2) is bonded to one Ba(1), two equivalent Ba(2), and one La(1) atom to form distorted BrBa3La tetrahedra that share corners with four equivalent Br(1)Ba2La2 tetrahedra, corners with fourteen equivalent Br(2)Ba3La tetrahedra,  an edgeedge with one Br(1)Ba2La2 tetrahedra, and edges with five equivalent Br(2)Ba3La tetrahedra. In the third Br site, Br(3) is bonded in a distorted T-shaped geometry to two equivalent Ba(2) and one La(1) atom. is represented by the CIF file [CIF]
data_Ba3La2Br12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.421
_cell_length_b   12.421
_cell_length_c   7.559
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1166.300
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.683  0.183  0.500  1.0
  Ba  Ba2  1  0.183  0.317  0.500  1.0
  Ba  Ba3  1  0.500  0.500  0.000  1.0
  Ba  Ba4  1  0.817  0.683  0.500  1.0
  Ba  Ba5  1  0.317  0.817  0.500  1.0
  La  La6  1  0.364  0.136  0.000  1.0
  La  La7  1  0.864  0.364  0.000  1.0
  La  La8  1  0.136  0.636  0.000  1.0
  La  La9  1  0.636  0.864  0.000  1.0
  Br  Br10  1  0.500  0.000  0.257  1.0
  Br  Br11  1  0.500  0.000  0.743  1.0
  Br  Br12  1  0.209  0.056  0.270  1.0
  Br  Br13  1  0.209  0.056  0.730  1.0
  Br  Br14  1  0.692  0.192  0.000  1.0
  Br  Br15  1  0.944  0.209  0.270  1.0
  Br  Br16  1  0.944  0.209  0.730  1.0
  Br  Br17  1  0.444  0.291  0.270  1.0
  Br  Br18  1  0.444  0.291  0.730  1.0
  Br  Br19  1  0.192  0.308  0.000  1.0
  Br  Br20  1  0.709  0.444  0.270  1.0
  Br  Br21  1  0.709  0.444  0.730  1.0
  Br  Br22  1  0.000  0.500  0.743  1.0
  Br  Br23  1  0.000  0.500  0.257  1.0
  Br  Br24  1  0.291  0.556  0.270  1.0
  Br  Br25  1  0.291  0.556  0.730  1.0
  Br  Br26  1  0.808  0.692  0.000  1.0
  Br  Br27  1  0.556  0.709  0.270  1.0
  Br  Br28  1  0.556  0.709  0.730  1.0
  Br  Br29  1  0.056  0.791  0.270  1.0
  Br  Br30  1  0.056  0.791  0.730  1.0
  Br  Br31  1  0.308  0.808  0.000  1.0
  Br  Br32  1  0.791  0.944  0.270  1.0
  Br  Br33  1  0.791  0.944  0.730  1.0
[/CIF]
.