The material structure described by K6Na15Tl18H crystallizes in the cubic Pm-3 space group. K(1) is bonded in a 15-coordinate geometry to one K(1), four equivalent Na(2), four equivalent Na(3), and six equivalent Tl(2) atoms. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to twelve equivalent Tl(2) atoms to form corner-sharing NaTl12 cuboctahedra. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent K(1), three equivalent Tl(1), and three equivalent Tl(2) atoms. In the third Na site, Na(3) is bonded to four equivalent K(1), two equivalent Tl(1), and two equivalent Tl(2) atoms to form distorted NaK4Tl4 tetrahedra that share corners with two equivalent Na(1)Tl12 cuboctahedra, corners with two equivalent H(1)Tl6 octahedra, corners with eight equivalent Na(3)K4Tl4 tetrahedra,  an edgeedge with one Na(3)K4Tl4 tetrahedra, and  a faceface with one Na(3)K4Tl4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 7-coordinate geometry to two equivalent Na(3), four equivalent Na(2), and one H(1) atom. In the second Tl site, Tl(2) is bonded in a 12-coordinate geometry to three equivalent K(1), one Na(1), one Na(3), two equivalent Na(2), and five equivalent Tl(2) atoms. H(1) is bonded to six equivalent Tl(1) atoms to form HTl6 octahedra that share corners with twelve equivalent Na(3)K4Tl4 tetrahedra. is represented by the CIF file [CIF]
data_K6Na15Tl18H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.885
_cell_length_b   10.885
_cell_length_c   10.885
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1289.619
_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
  K  K0  1  0.000  0.186  0.500  1.0
  K  K1  1  0.000  0.814  0.500  1.0
  K  K2  1  0.500  0.000  0.186  1.0
  K  K3  1  0.500  0.000  0.814  1.0
  K  K4  1  0.186  0.500  0.000  1.0
  K  K5  1  0.814  0.500  0.000  1.0
  Na  Na6  1  0.000  0.000  0.000  1.0
  Na  Na7  1  0.720  0.280  0.280  1.0
  Na  Na8  1  0.280  0.280  0.720  1.0
  Na  Na9  1  0.280  0.720  0.280  1.0
  Na  Na10  1  0.720  0.720  0.720  1.0
  Na  Na11  1  0.280  0.720  0.720  1.0
  Na  Na12  1  0.720  0.720  0.280  1.0
  Na  Na13  1  0.720  0.280  0.720  1.0
  Na  Na14  1  0.280  0.280  0.280  1.0
  Na  Na15  1  0.500  0.329  0.000  1.0
  Na  Na16  1  0.500  0.671  0.000  1.0
  Na  Na17  1  0.000  0.500  0.329  1.0
  Na  Na18  1  0.000  0.500  0.671  1.0
  Na  Na19  1  0.329  0.000  0.500  1.0
  Na  Na20  1  0.671  0.000  0.500  1.0
  Tl  Tl21  1  0.500  0.275  0.500  1.0
  Tl  Tl22  1  0.500  0.725  0.500  1.0
  Tl  Tl23  1  0.500  0.500  0.275  1.0
  Tl  Tl24  1  0.500  0.500  0.725  1.0
  Tl  Tl25  1  0.275  0.500  0.500  1.0
  Tl  Tl26  1  0.725  0.500  0.500  1.0
  Tl  Tl27  1  0.844  0.000  0.254  1.0
  Tl  Tl28  1  0.156  0.000  0.746  1.0
  Tl  Tl29  1  0.156  0.000  0.254  1.0
  Tl  Tl30  1  0.844  0.000  0.746  1.0
  Tl  Tl31  1  0.254  0.844  0.000  1.0
  Tl  Tl32  1  0.746  0.156  0.000  1.0
  Tl  Tl33  1  0.254  0.156  0.000  1.0
  Tl  Tl34  1  0.746  0.844  0.000  1.0
  Tl  Tl35  1  0.000  0.254  0.844  1.0
  Tl  Tl36  1  0.000  0.746  0.156  1.0
  Tl  Tl37  1  0.000  0.254  0.156  1.0
  Tl  Tl38  1  0.000  0.746  0.844  1.0
  H  H39  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by K6Na15Tl18H crystallizes in the cubic Pm-3 space group. K(1) is bonded in a 15-coordinate geometry to one K(1), four equivalent Na(2), four equivalent Na(3), and six equivalent Tl(2) atoms. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to twelve equivalent Tl(2) atoms to form corner-sharing NaTl12 cuboctahedra. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent K(1), three equivalent Tl(1), and three equivalent Tl(2) atoms. In the third Na site, Na(3) is bonded to four equivalent K(1), two equivalent Tl(1), and two equivalent Tl(2) atoms to form distorted NaK4Tl4 tetrahedra that share corners with two equivalent Na(1)Tl12 cuboctahedra, corners with two equivalent H(1)Tl6 octahedra, corners with eight equivalent Na(3)K4Tl4 tetrahedra,  an edgeedge with one Na(3)K4Tl4 tetrahedra, and  a faceface with one Na(3)K4Tl4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 7-coordinate geometry to two equivalent Na(3), four equivalent Na(2), and one H(1) atom. In the second Tl site, Tl(2) is bonded in a 12-coordinate geometry to three equivalent K(1), one Na(1), one Na(3), two equivalent Na(2), and five equivalent Tl(2) atoms. H(1) is bonded to six equivalent Tl(1) atoms to form HTl6 octahedra that share corners with twelve equivalent Na(3)K4Tl4 tetrahedra. is represented by the CIF file [CIF]
data_K6Na15Tl18H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.885
_cell_length_b   10.885
_cell_length_c   10.885
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1289.619
_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
  K  K0  1  0.000  0.186  0.500  1.0
  K  K1  1  0.000  0.814  0.500  1.0
  K  K2  1  0.500  0.000  0.186  1.0
  K  K3  1  0.500  0.000  0.814  1.0
  K  K4  1  0.186  0.500  0.000  1.0
  K  K5  1  0.814  0.500  0.000  1.0
  Na  Na6  1  0.000  0.000  0.000  1.0
  Na  Na7  1  0.720  0.280  0.280  1.0
  Na  Na8  1  0.280  0.280  0.720  1.0
  Na  Na9  1  0.280  0.720  0.280  1.0
  Na  Na10  1  0.720  0.720  0.720  1.0
  Na  Na11  1  0.280  0.720  0.720  1.0
  Na  Na12  1  0.720  0.720  0.280  1.0
  Na  Na13  1  0.720  0.280  0.720  1.0
  Na  Na14  1  0.280  0.280  0.280  1.0
  Na  Na15  1  0.500  0.329  0.000  1.0
  Na  Na16  1  0.500  0.671  0.000  1.0
  Na  Na17  1  0.000  0.500  0.329  1.0
  Na  Na18  1  0.000  0.500  0.671  1.0
  Na  Na19  1  0.329  0.000  0.500  1.0
  Na  Na20  1  0.671  0.000  0.500  1.0
  Tl  Tl21  1  0.500  0.275  0.500  1.0
  Tl  Tl22  1  0.500  0.725  0.500  1.0
  Tl  Tl23  1  0.500  0.500  0.275  1.0
  Tl  Tl24  1  0.500  0.500  0.725  1.0
  Tl  Tl25  1  0.275  0.500  0.500  1.0
  Tl  Tl26  1  0.725  0.500  0.500  1.0
  Tl  Tl27  1  0.844  0.000  0.254  1.0
  Tl  Tl28  1  0.156  0.000  0.746  1.0
  Tl  Tl29  1  0.156  0.000  0.254  1.0
  Tl  Tl30  1  0.844  0.000  0.746  1.0
  Tl  Tl31  1  0.254  0.844  0.000  1.0
  Tl  Tl32  1  0.746  0.156  0.000  1.0
  Tl  Tl33  1  0.254  0.156  0.000  1.0
  Tl  Tl34  1  0.746  0.844  0.000  1.0
  Tl  Tl35  1  0.000  0.254  0.844  1.0
  Tl  Tl36  1  0.000  0.746  0.156  1.0
  Tl  Tl37  1  0.000  0.254  0.156  1.0
  Tl  Tl38  1  0.000  0.746  0.844  1.0
  H  H39  1  0.500  0.500  0.500  1.0
[/CIF]
.