data_KTlFeAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlFeAg
_chemical_formula_sum   'K1 Tl1 Fe1 Ag1'
_cell_volume   98.04
_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  K2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.83  0.83  0.83  1.0
  Fe  Fe1  1  0.66  0.66  0.66  1.0
  Ag  Ag0  1  0.49  0.49  0.49  1.0

data_KTlFeAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KTlFeAg
_chemical_formula_sum   'K3 Tl3 Fe3 Ag3'
_cell_volume   294.12
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Tl  Tl1  3  0.0  0.0  0.17  1.0
  Fe  Fe2  3  0.0  0.0  0.34  1.0
  Ag  Ag3  3  0.0  0.0  0.51  1.0

K Tl Fe Ag
KFeAgTl crystallizes in the trigonal R3m space group. K(1) is bonded in a 1-coordinate geometry to three equivalent Fe(1), three equivalent Ag(1), and one Tl(1) atom. All K(1)-Fe(1) bond lengths are 2.99 Å. All K(1)-Ag(1) bond lengths are 3.59 Å. The K(1)-Tl(1) bond length is 2.16 Å. Fe(1) is bonded to three equivalent K(1), one Ag(1), and one Tl(1) atom to form corner-sharing FeK3TlAg trigonal bipyramids. The Fe(1)-Ag(1) bond length is 2.16 Å. The Fe(1)-Tl(1) bond length is 2.16 Å. Ag(1) is bonded in a 7-coordinate geometry to three equivalent K(1), one Fe(1), and three equivalent Tl(1) atoms. All Ag(1)-Tl(1) bond lengths are 2.99 Å. Tl(1) is bonded in a distorted linear geometry to one K(1), one Fe(1), and three equivalent Ag(1) atoms.