data_TbPa2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbPa2Ag
_chemical_formula_sum   'Tb1 Pa2 Ag1'
_cell_volume   98.34
_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
  Tb  Tb3  1  0.66  0.66  0.66  1.0
  Pa  Pa1  1  0.5  0.5  0.5  1.0
  Pa  Pa2  1  0.83  0.83  0.83  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_TbPa2Ag
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TbPa2Ag
_chemical_formula_sum   'Tb3 Pa6 Ag3'
_cell_volume   295.01
_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
  Tb  Tb0  3  0.0  0.0  0.34  1.0
  Pa  Pa1  3  0.0  0.0  0.17  1.0
  Pa  Pa2  3  0.0  0.0  0.5  1.0
  Ag  Ag3  3  0.0  0.0  0.0  1.0

Tb Pa Pa Ag
Pa2TbAg crystallizes in the trigonal R3m space group. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded in a single-bond geometry to one Tb(1) atom. The Pa(1)-Tb(1) bond length is 2.14 Å. In the second Pa site, Pa(2) is bonded in a linear geometry to one Tb(1) and one Ag(1) atom. The Pa(2)-Tb(1) bond length is 2.14 Å. The Pa(2)-Ag(1) bond length is 2.14 Å. Tb(1) is bonded to one Pa(1), one Pa(2), and three equivalent Ag(1) atoms to form distorted TbPa2Ag3 trigonal bipyramids that share corners with six equivalent Tb(1)Pa2Ag3 trigonal bipyramids and  a cornercorner with one Ag(1)Tb3Pa trigonal pyramid. All Tb(1)-Ag(1) bond lengths are 2.99 Å. Ag(1) is bonded to one Pa(2) and three equivalent Tb(1) atoms to form distorted AgTb3Pa trigonal pyramids that share  a cornercorner with one Tb(1)Pa2Ag3 trigonal bipyramid and corners with six equivalent Ag(1)Tb3Pa trigonal pyramids.