data_Gd2PaTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2PaTc
_chemical_formula_sum   'Gd2 Pa1 Tc1'
_cell_volume   93.99
_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
  Gd  Gd0  1  0.8  0.8  0.8  1.0
  Gd  Gd1  1  0.41  0.41  0.41  1.0
  Pa  Pa2  1  0.61  0.61  0.61  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_Gd2PaTc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Gd2PaTc
_chemical_formula_sum   'Gd6 Pa3 Tc3'
_cell_volume   281.97
_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
  Gd  Gd0  3  0.0  0.0  0.2  1.0
  Gd  Gd1  3  0.0  0.0  0.59  1.0
  Pa  Pa2  3  0.0  0.0  0.39  1.0
  Tc  Tc3  3  0.0  0.0  -0.0  1.0

Gd Gd Pa Tc
Gd Gd Pa Tc 0 2 o o o 0 3 + + + 0 3 + + o 0 3 o + + 0 3 + o + 0 1 + o o 0 1 o + o 0 1 o o + 1 2 o - o 1 2 - o o 1 2 o o - 1 2 o o o 1 3 o o + 1 3 o + o 1 3 + o o 2 3 + + o 2 3 + o + 2 3 o + + 
PaGd2Tc crystallizes in the trigonal R3m space group. Pa(1) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), and three equivalent Tc(1) atoms. The Pa(1)-Gd(1) bond length is 2.45 Å. The Pa(1)-Gd(2) bond length is 2.45 Å. All Pa(1)-Tc(1) bond lengths are 3.03 Å. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a linear geometry to one Pa(1) and one Tc(1) atom. The Gd(1)-Tc(1) bond length is 2.45 Å. In the second Gd site, Gd(2) is bonded to one Pa(1) and three equivalent Tc(1) atoms to form distorted corner-sharing GdPaTc3 tetrahedra. All Gd(2)-Tc(1) bond lengths are 3.11 Å. Tc(1) is bonded in a 1-coordinate geometry to three equivalent Pa(1), one Gd(1), and three equivalent Gd(2) atoms.