data_PrAg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrAg2Bi
_chemical_formula_sum   'Pr1 Ag2 Bi1'
_cell_volume   94.51
_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
  Pr  Pr3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.81  0.81  0.81  1.0
  Ag  Ag1  1  0.42  0.42  0.42  1.0
  Bi  Bi2  1  0.62  0.62  0.62  1.0

data_PrAg2Bi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   12.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   PrAg2Bi
_chemical_formula_sum   'Pr3 Ag6 Bi3'
_cell_volume   283.54
_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
  Pr  Pr0  3  0.0  0.0  0.0  1.0
  Ag  Ag1  3  0.0  0.0  0.19  1.0
  Ag  Ag2  3  0.0  0.0  0.58  1.0
  Bi  Bi3  3  0.0  0.0  0.38  1.0

Pr Ag Ag Bi
PrAg2Bi crystallizes in the trigonal R3m space group. Pr(1) is bonded in a 1-coordinate geometry to one Ag(1), three equivalent Ag(2), and three equivalent Bi(1) atoms. The Pr(1)-Ag(1) bond length is 2.41 Å. All Pr(1)-Ag(2) bond lengths are 3.16 Å. All Pr(1)-Bi(1) bond lengths are 3.02 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted linear geometry to one Pr(1) and one Bi(1) atom. The Ag(1)-Bi(1) bond length is 2.41 Å. In the second Ag site, Ag(2) is bonded to three equivalent Pr(1) and one Bi(1) atom to form distorted AgPr3Bi tetrahedra that share corners with six equivalent Ag(2)Pr3Bi tetrahedra, corners with three equivalent Bi(1)Pr3Ag2 trigonal bipyramids, and edges with three equivalent Bi(1)Pr3Ag2 trigonal bipyramids. The Ag(2)-Bi(1) bond length is 2.41 Å. Bi(1) is bonded to three equivalent Pr(1), one Ag(1), and one Ag(2) atom to form distorted BiPr3Ag2 trigonal bipyramids that share corners with three equivalent Ag(2)Pr3Bi tetrahedra, corners with six equivalent Bi(1)Pr3Ag2 trigonal bipyramids, and edges with three equivalent Ag(2)Pr3Bi tetrahedra.