data_Cr4AgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr4AgTe
_chemical_formula_sum   'Cr4 Ag1 Te1'
_cell_volume   86.41
_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
  Cr  Cr1  1  0.42  0.42  0.6  1.0
  Cr  Cr2  1  0.42  0.6  0.42  1.0
  Cr  Cr3  1  0.6  0.42  0.42  1.0
  Cr  Cr4  1  0.6  0.6  0.6  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Te  Te5  1  0.26  0.26  0.26  1.0

data_Cr4AgTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   12.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cr4AgTe
_chemical_formula_sum   'Cr12 Ag3 Te3'
_cell_volume   259.22
_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
  Cr  Cr0  9  0.06  0.12  0.52  1.0
  Cr  Cr1  3  0.0  0.0  0.4  1.0
  Ag  Ag2  3  0.0  0.0  0.0  1.0
  Te  Te3  3  0.0  0.0  0.74  1.0

Cr Cr Cr Cr Ag Te
Cr4AgTe crystallizes in the trigonal R3m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to one Cr(2), two equivalent Cr(1), one Ag(1), and two equivalent Te(1) atoms. The Cr(1)-Cr(2) bond length is 1.61 Å. Both Cr(1)-Cr(1) bond lengths are 0.93 Å. The Cr(1)-Ag(1) bond length is 2.92 Å. There is one shorter (2.66 Å) and one longer (2.74 Å) Cr(1)-Te(1) bond length. In the second Cr site, Cr(2) is bonded in a 9-coordinate geometry to three equivalent Cr(1), three equivalent Ag(1), and three equivalent Te(1) atoms. All Cr(2)-Ag(1) bond lengths are 2.97 Å. All Cr(2)-Te(1) bond lengths are 2.87 Å. Ag(1) is bonded in a 10-coordinate geometry to three equivalent Cr(1), three equivalent Cr(2), and four equivalent Te(1) atoms. There are three shorter (2.99 Å) and one longer (3.20 Å) Ag(1)-Te(1) bond length. Te(1) is bonded in a 13-coordinate geometry to three equivalent Cr(2), six equivalent Cr(1), and four equivalent Ag(1) atoms.