data_CaZnAgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnAgTe
_chemical_formula_sum   'Ca1 Zn1 Ag1 Te1'
_cell_volume   99.62
_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
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.84  0.84  0.84  1.0
  Ag  Ag0  1  0.68  0.68  0.68  1.0
  Te  Te2  1  0.52  0.52  0.52  1.0

data_CaZnAgTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaZnAgTe
_chemical_formula_sum   'Ca3 Zn3 Ag3 Te3'
_cell_volume   298.85
_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
  Ca  Ca0  3  0.0  0.0  0.0  1.0
  Zn  Zn1  3  0.0  0.0  0.16  1.0
  Ag  Ag2  3  0.0  0.0  0.32  1.0
  Te  Te3  3  0.0  0.0  0.48  1.0

Ca Zn Ag Te
CaAgZnTe crystallizes in the trigonal R3m space group. Ca(1) is bonded to three equivalent Ag(1) and one Zn(1) atom to form distorted CaZnAg3 trigonal pyramids that share  a cornercorner with one Ag(1)Ca3ZnTe trigonal bipyramid, corners with six equivalent Ca(1)ZnAg3 trigonal pyramids, and edges with three equivalent Te(1)Zn3Ag trigonal pyramids. All Ca(1)-Ag(1) bond lengths are 3.01 Å. The Ca(1)-Zn(1) bond length is 2.04 Å. Ag(1) is bonded to three equivalent Ca(1), one Zn(1), and one Te(1) atom to form AgCa3ZnTe trigonal bipyramids that share corners with six equivalent Ag(1)Ca3ZnTe trigonal bipyramids,  a cornercorner with one Ca(1)ZnAg3 trigonal pyramid, and corners with three equivalent Te(1)Zn3Ag trigonal pyramids. The Ag(1)-Zn(1) bond length is 2.04 Å. The Ag(1)-Te(1) bond length is 2.04 Å. Zn(1) is bonded in a distorted linear geometry to one Ca(1), one Ag(1), and three equivalent Te(1) atoms. All Zn(1)-Te(1) bond lengths are 3.01 Å. Te(1) is bonded to one Ag(1) and three equivalent Zn(1) atoms to form distorted TeZn3Ag trigonal pyramids that share corners with three equivalent Ag(1)Ca3ZnTe trigonal bipyramids, corners with six equivalent Te(1)Zn3Ag trigonal pyramids, and edges with three equivalent Ca(1)ZnAg3 trigonal pyramids.