data_Tb3NiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.42
_cell_length_b   4.19
_cell_length_c   11.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3NiGe2
_chemical_formula_sum   'Tb12 Ni4 Ge8'
_cell_volume   538.97
_cell_formula_units_Z   4
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  Tb0  1  0.07  0.05  0.66  1.0
  Tb  Tb1  1  0.36  0.05  0.97  1.0
  Tb  Tb2  1  0.35  0.14  0.61  1.0
  Tb  Tb3  1  0.06  0.14  0.3  1.0
  Tb  Tb4  1  0.34  0.05  0.43  1.0
  Tb  Tb5  1  0.63  0.05  0.2  1.0
  Tb  Tb6  1  0.08  0.14  0.84  1.0
  Tb  Tb7  1  0.79  0.14  0.07  1.0
  Tb  Tb8  1  0.22  0.05  0.08  1.0
  Tb  Tb9  1  0.51  0.05  0.84  1.0
  Tb  Tb10  1  0.2  0.14  0.2  1.0
  Tb  Tb11  1  0.91  0.14  0.44  1.0
  Ni  Ni12  1  0.16  0.05  0.19  1.0
  Ni  Ni13  1  0.45  0.05  0.45  1.0
  Ni  Ni14  1  0.26  0.14  0.09  1.0
  Ni  Ni15  1  0.97  0.14  0.82  1.0
  Ge  Ge16  1  0.2  0.05  0.15  1.0
  Ge  Ge17  1  0.49  0.05  0.76  1.0
  Ge  Ge18  1  0.22  0.14  0.12  1.0
  Ge  Ge19  1  0.93  0.14  0.52  1.0
  Ge  Ge20  1  0.2  0.05  0.64  1.0
  Ge  Ge21  1  0.49  0.05  0.27  1.0
  Ge  Ge22  1  0.22  0.14  0.63  1.0
  Ge  Ge23  1  0.93  0.14  0.01  1.0

data_Tb3NiGe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.19
_cell_length_b   11.28
_cell_length_c   11.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Tb3NiGe2
_chemical_formula_sum   'Tb12 Ni4 Ge8'
_cell_volume   538.97
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Tb0  2  0.05  0.06  0.99  1.0
  Tb  Tb1  2  0.05  0.16  0.85  1.0
  Tb  Tb2  2  0.05  0.3  0.7  1.0
  Tb  Tb3  2  0.05  0.47  0.14  1.0
  Tb  Tb4  2  0.05  0.7  0.87  1.0
  Tb  Tb5  2  0.05  0.93  0.58  1.0
  Ni  Ni6  2  0.05  0.69  0.76  1.0
  Ni  Ni7  2  0.05  0.95  0.05  1.0
  Ge  Ge8  2  0.05  0.38  0.72  1.0
  Ge  Ge9  2  0.05  0.49  0.01  1.0
  Ge  Ge10  2  0.05  0.87  0.72  1.0
  Ge  Ge11  2  0.05  0.98  0.01  1.0

Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Ni Ni Ni Ni Ge Ge Ge Ge Ge Ge Ge Ge
Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Ni Ni Ni Ni Ge Ge Ge Ge Ge Ge Ge Ge 0 22 o o o 0 20 o o o 1 14 o o + 1 8 o o + 2 20 o o o 2 22 o o o 3 12 o o o 3 10 o o o 4 13 o o o 5 21 o o o 6 15 - o o 7 23 o o o 8 18 o o o 8 14 o o o 9 17 o o o 10 12 o o o 10 16 o o o 11 19 o o o 12 16 o o o 13 21 o o o 14 18 o o o 15 23 o o + 16 18 o o o 20 22 o o o 