data_Tb3Fe2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   13.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   137.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3Fe2Si3
_chemical_formula_sum   'Tb6 Fe4 Si6'
_cell_volume   297.04
_cell_formula_units_Z   2
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  0.04  0.54  0.25  1.0
  Tb  Tb1  1  0.04  0.46  0.42  1.0
  Tb  Tb2  1  0.04  0.52  0.37  1.0
  Tb  Tb3  1  0.04  0.48  0.29  1.0
  Tb  Tb4  1  0.04  0.48  0.54  1.0
  Tb  Tb5  1  0.04  0.52  0.12  1.0
  Fe  Fe6  1  0.04  0.97  0.09  1.0
  Fe  Fe7  1  0.04  0.03  0.57  1.0
  Fe  Fe8  1  0.04  0.03  0.92  1.0
  Fe  Fe9  1  0.04  0.97  0.74  1.0
  Si  Si10  1  0.04  0.85  0.25  1.0
  Si  Si11  1  0.04  0.15  0.42  1.0
  Si  Si12  1  0.04  0.66  0.37  1.0
  Si  Si13  1  0.04  0.34  0.29  1.0
  Si  Si14  1  0.04  0.34  0.54  1.0
  Si  Si15  1  0.04  0.66  0.12  1.0

data_Tb3Fe2Si3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.09
_cell_length_b   5.7
_cell_length_c   13.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.02
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Tb3Fe2Si3
_chemical_formula_sum   'Tb6 Fe4 Si6'
_cell_volume   297.04
_cell_formula_units_Z   2
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  0.46  0.46  0.92  1.0
  Tb  Tb1  2  0.48  0.48  0.04  1.0
  Tb  Tb2  2  0.48  0.48  0.79  1.0
  Fe  Fe3  2  0.03  0.03  0.41  1.0
  Fe  Fe4  2  0.03  0.03  0.76  1.0
  Si  Si5  2  0.15  0.15  0.92  1.0
  Si  Si6  2  0.34  0.34  0.04  1.0
  Si  Si7  2  0.34  0.34  0.79  1.0

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