data_Ba2AgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AgTe
_chemical_formula_sum   'Ba2 Ag1 Te1'
_cell_volume   174.09
_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
  Ba  Ba1  1  0.49  0.49  0.0  1.0
  Ba  Ba2  1  0.0  0.0  0.5  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.49  0.49  0.5  1.0

data_Ba2AgTe
_symmetry_space_group_name_H-M   P4/mmm
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   123
_chemical_formula_structural   Ba2AgTe
_chemical_formula_sum   'Ba2 Ag1 Te1'
_cell_volume   174.09
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, 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  0.0  0.0  0.5  1.0
  Ba  Ba1  1  0.5  0.5  0.0  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.5  0.5  0.5  1.0

Ba Ba Ag Te
Ba2AgTe is Caswellsilverite-like structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent Ag(1) and two equivalent Te(1) atoms to form BaAg4Te2 octahedra that share corners with six equivalent Ba(1)Ag4Te2 octahedra, edges with four equivalent Ba(1)Ag4Te2 octahedra, and edges with eight equivalent Ba(2)Ag2Te4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are a spread of Ba(1)-Ag(1) bond distances ranging from 3.49-3.57 Å. There is one shorter (3.48 Å) and one longer (3.51 Å) Ba(1)-Te(1) bond length. In the second Ba site, Ba(2) is bonded to two equivalent Ag(1) and four equivalent Te(1) atoms to form BaAg2Te4 octahedra that share corners with six equivalent Ba(2)Ag2Te4 octahedra, edges with four equivalent Ba(2)Ag2Te4 octahedra, and edges with eight equivalent Ba(1)Ag4Te2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There is one shorter (3.48 Å) and one longer (3.51 Å) Ba(2)-Ag(1) bond length. There are a spread of Ba(2)-Te(1) bond distances ranging from 3.49-3.57 Å. Ag(1) is bonded to two equivalent Ba(2) and four equivalent Ba(1) atoms to form AgBa6 octahedra that share corners with six equivalent Ag(1)Ba6 octahedra, edges with four equivalent Ag(1)Ba6 octahedra, and edges with eight equivalent Te(1)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Te(1) is bonded to two equivalent Ba(1) and four equivalent Ba(2) atoms to form TeBa6 octahedra that share corners with six equivalent Te(1)Ba6 octahedra, edges with four equivalent Te(1)Ba6 octahedra, and edges with eight equivalent Ag(1)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.