data_CsCu3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsCu3Ag
_chemical_formula_sum   'Cs1 Cu3 Ag1'
_cell_volume   128.71
_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
  Cs  Cs0  1  0.52  0.52  0.52  1.0
  Cu  Cu1  1  0.0  0.52  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.52  1.0
  Cu  Cu3  1  0.52  0.0  0.0  1.0
  Ag  Ag4  1  0.0  0.0  0.0  1.0

data_CsCu3Ag
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.14
_cell_length_b   7.14
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsCu3Ag
_chemical_formula_sum   'Cs3 Cu9 Ag3'
_cell_volume   386.14
_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
  Cs  Cs0  3  0.0  0.0  0.52  1.0
  Cu  Cu1  9  0.02  0.51  0.51  1.0
  Ag  Ag2  3  0.0  0.0  0.0  1.0

Cs Cu Cu Cu Ag
CsAgCu3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Cs(1) is bonded to twelve equivalent Cu(1) atoms to form CsCu12 cuboctahedra that share corners with twelve equivalent Cs(1)Cu12 cuboctahedra, faces with six equivalent Cs(1)Cu12 cuboctahedra, and faces with eight equivalent Ag(1)Cu6 octahedra. There are a spread of Cs(1)-Cu(1) bond distances ranging from 3.40-3.75 Å. Ag(1) is bonded to six equivalent Cu(1) atoms to form AgCu6 octahedra that share corners with six equivalent Ag(1)Cu6 octahedra and faces with eight equivalent Cs(1)Cu12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.40 Å) and three longer (2.65 Å) Ag(1)-Cu(1) bond lengths. Cu(1) is bonded to four equivalent Cs(1) and two equivalent Ag(1) atoms to form a mixture of distorted face, edge, and corner-sharing CuCs4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°.