data_Cr2AgBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2AgBr
_chemical_formula_sum   'Cr2 Ag1 Br1'
_cell_volume   83.27
_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  Cr2  1  0.73  0.73  0.73  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.2  0.2  0.2  1.0
  Br  Br1  1  0.47  0.47  0.47  1.0

data_Cr2AgBr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   12.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cr2AgBr
_chemical_formula_sum   'Cr6 Ag3 Br3'
_cell_volume   249.8
_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  3  0.0  0.0  0.0  1.0
  Cr  Cr1  3  0.0  0.0  0.27  1.0
  Ag  Ag2  3  0.0  0.0  0.8  1.0
  Br  Br3  3  0.0  0.0  0.53  1.0

Cr Cr Ag Br
Cr2AgBr crystallizes in the trigonal R3m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to three equivalent Ag(1) and four equivalent Br(1) atoms. All Cr(1)-Ag(1) bond lengths are 3.25 Å. There are three shorter (2.94 Å) and one longer (3.21 Å) Cr(1)-Br(1) bond length. In the second Cr site, Cr(2) is bonded in a distorted single-bond geometry to four equivalent Ag(1) and three equivalent Br(1) atoms. There is one shorter (2.39 Å) and three longer (3.26 Å) Cr(2)-Ag(1) bond lengths. All Cr(2)-Br(1) bond lengths are 3.25 Å. Ag(1) is bonded in a 11-coordinate geometry to three equivalent Cr(1), four equivalent Cr(2), and four equivalent Br(1) atoms. There are three shorter (2.94 Å) and one longer (3.21 Å) Ag(1)-Br(1) bond length. Br(1) is bonded in a 11-coordinate geometry to three equivalent Cr(2), four equivalent Cr(1), and four equivalent Ag(1) atoms.