data_LaAgBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAgBr2
_chemical_formula_sum   'La1 Ag1 Br2'
_cell_volume   107.18
_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
  La  La3  1  0.66  0.66  0.66  1.0
  Ag  Ag0  1  0.77  0.77  0.77  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.89  0.89  0.89  1.0

data_LaAgBr2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   13.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaAgBr2
_chemical_formula_sum   'La3 Ag3 Br6'
_cell_volume   321.55
_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
  La  La0  3  0.0  0.0  0.34  1.0
  Ag  Ag1  3  0.0  0.0  0.23  1.0
  Br  Br2  3  0.0  0.0  0.0  1.0
  Br  Br3  3  0.0  0.0  0.11  1.0

La Ag Br Br
LaAgBr2 crystallizes in the trigonal R3m space group. La(1) is bonded in a single-bond geometry to one Ag(1) and three equivalent Br(1) atoms. The La(1)-Ag(1) bond length is 1.50 Å. All La(1)-Br(1) bond lengths are 3.08 Å. Ag(1) is bonded in a linear geometry to one La(1) and one Br(2) atom. The Ag(1)-Br(2) bond length is 1.50 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to three equivalent La(1) and one Br(2) atom to form distorted corner-sharing BrLa3Br trigonal pyramids. The Br(1)-Br(2) bond length is 1.50 Å. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Ag(1) and one Br(1) atom.