data_Th2GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2GaNi
_chemical_formula_sum   'Th2 Ga1 Ni1'
_cell_volume   93.19
_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
  Th  Th2  1  0.4  0.4  0.4  1.0
  Th  Th3  1  0.8  0.8  0.8  1.0
  Ga  Ga0  1  0.6  0.6  0.6  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_Th2GaNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   12.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Th2GaNi
_chemical_formula_sum   'Th6 Ga3 Ni3'
_cell_volume   279.57
_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
  Th  Th0  3  0.0  0.0  0.2  1.0
  Th  Th1  3  0.0  0.0  0.6  1.0
  Ga  Ga2  3  0.0  0.0  0.4  1.0
  Ni  Ni3  3  0.0  0.0  -0.0  1.0

Th Th Ga Ni
Th2NiGa crystallizes in the trigonal R3m space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 4-coordinate geometry to three equivalent Ni(1) and one Ga(1) atom. All Th(1)-Ni(1) bond lengths are 3.05 Å. The Th(1)-Ga(1) bond length is 2.50 Å. In the second Th site, Th(2) is bonded in a linear geometry to four equivalent Ni(1) and one Ga(1) atom. There is one shorter (2.50 Å) and three longer (3.37 Å) Th(2)-Ni(1) bond lengths. The Th(2)-Ga(1) bond length is 2.50 Å. Ni(1) is bonded in a 10-coordinate geometry to three equivalent Th(1), four equivalent Th(2), and three equivalent Ga(1) atoms. All Ni(1)-Ga(1) bond lengths are 3.06 Å. Ga(1) is bonded in a linear geometry to one Th(1), one Th(2), and three equivalent Ni(1) atoms.