data_TbSiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39
_cell_length_b   6.99
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbSiPd2
_chemical_formula_sum   'Tb4 Si4 Pd8'
_cell_volume   287.72
_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  0.48  0.24  0.8  1.0
  Tb  Tb1  1  0.9  0.75  0.78  1.0
  Tb  Tb2  1  0.21  0.75  0.58  1.0
  Tb  Tb3  1  0.18  0.24  0.99  1.0
  Si  Si4  1  0.9  0.24  0.77  1.0
  Si  Si5  1  0.48  0.75  0.8  1.0
  Si  Si6  1  0.79  0.75  0.98  1.0
  Si  Si7  1  0.6  0.24  0.59  1.0
  Pd  Pd8  1  0.38  0.85  0.31  1.0
  Pd  Pd9  1  0.0  0.14  0.26  1.0
  Pd  Pd10  1  0.31  0.14  0.52  1.0
  Pd  Pd11  1  0.0  0.36  0.26  1.0
  Pd  Pd12  1  0.08  0.85  0.05  1.0
  Pd  Pd13  1  0.38  0.63  0.31  1.0
  Pd  Pd14  1  0.08  0.63  0.05  1.0
  Pd  Pd15  1  0.31  0.36  0.52  1.0

data_TbSiPd2
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   5.57
_cell_length_b   6.99
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   TbSiPd2
_chemical_formula_sum   'Tb4 Si4 Pd8'
_cell_volume   287.72
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z'
  4  'x, -y+1/2, 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  0.01  0.25  0.79  1.0
  Tb  Tb1  2  0.2  0.25  0.48  1.0
  Si  Si2  2  0.02  0.75  0.79  1.0
  Si  Si3  2  0.2  0.75  0.1  1.0
  Pd  Pd4  4  0.26  0.64  0.38  1.0
  Pd  Pd5  4  0.48  0.15  0.31  1.0

Tb Tb Tb Tb Si Si Si Si Pd Pd Pd Pd Pd Pd Pd Pd
Tb Tb Tb Tb Si Si Si Si Pd Pd Pd Pd Pd Pd Pd Pd 0 7 o o o 0 3 o o o 0 4 o o o 1 6 o o o 1 2 + o o 1 5 o o o 2 13 o o o 2 8 o o o 2 5 o o o 3 9 o o + 3 4 - o o 3 11 o o + 4 7 o o o 4 9 + o o 4 9 + o + 4 11 + o o 4 11 + o + 5 13 o o o 5 13 o o + 5 8 o o o 5 8 o o + 5 6 o o o 8 13 o o o 9 11 o o o 10 15 o o o 12 14 o o o 