data_PaGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaGe3
_chemical_formula_sum   'Pa1 Ge3'
_cell_volume   84.05
_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
  Pa  Pa3  1  0.48  0.48  0.48  1.0
  Ge  Ge0  1  0.22  0.22  0.22  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.74  0.74  0.74  1.0

data_PaGe3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   12.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   PaGe3
_chemical_formula_sum   'Pa3 Ge9'
_cell_volume   252.14
_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
  Pa  Pa0  3  0.0  0.0  0.52  1.0
  Ge  Ge1  3  0.0  0.0  0.0  1.0
  Ge  Ge2  3  0.0  0.0  0.26  1.0
  Ge  Ge3  3  0.0  0.0  0.78  1.0

Pa Ge Ge Ge
PaGe3 is alpha bismuth trifluoride structured and crystallizes in the trigonal R3m space group. Pa(1) is bonded in a 8-coordinate geometry to three equivalent Ge(2), four equivalent Ge(1), and four equivalent Ge(3) atoms. All Pa(1)-Ge(2) bond lengths are 3.32 Å. There are three shorter (2.97 Å) and one longer (3.15 Å) Pa(1)-Ge(1) bond length. There are three shorter (2.97 Å) and one longer (3.15 Å) Pa(1)-Ge(3) bond length. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 5-coordinate geometry to four equivalent Pa(1) and one Ge(2) atom. The Ge(1)-Ge(2) bond length is 2.59 Å. In the second Ge site, Ge(2) is bonded in a 7-coordinate geometry to three equivalent Pa(1), one Ge(1), and three equivalent Ge(3) atoms. All Ge(2)-Ge(3) bond lengths are 2.97 Å. In the third Ge site, Ge(3) is bonded in a 4-coordinate geometry to four equivalent Pa(1) and three equivalent Ge(2) atoms.