data_TbSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   17.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   89.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbSb2
_chemical_formula_sum   'Tb4 Sb8'
_cell_volume   336.68
_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  0.08  0.14  0.8  1.0
  Tb  Tb1  1  0.08  0.86  0.96  1.0
  Tb  Tb2  1  0.08  0.79  0.92  1.0
  Tb  Tb3  1  0.08  0.21  0.85  1.0
  Sb  Sb4  1  0.08  0.16  0.04  1.0
  Sb  Sb5  1  0.08  0.84  0.73  1.0
  Sb  Sb6  1  0.08  0.77  0.16  1.0
  Sb  Sb7  1  0.08  0.23  0.61  1.0
  Sb  Sb8  1  0.54  0.77  0.33  1.0
  Sb  Sb9  1  0.54  0.23  0.44  1.0
  Sb  Sb10  1  0.62  0.23  0.44  1.0
  Sb  Sb11  1  0.62  0.77  0.33  1.0

data_TbSb2
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   17.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   TbSb2
_chemical_formula_sum   'Tb4 Sb8'
_cell_volume   336.68
_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, -z'
  4  '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  0.14  0.5  0.42  1.0
  Tb  Tb1  2  0.21  0.5  0.46  1.0
  Sb  Sb2  4  0.23  0.04  0.06  1.0
  Sb  Sb3  2  0.16  0.5  0.66  1.0
  Sb  Sb4  2  0.23  0.5  0.23  1.0

Tb Tb Tb Tb Sb Sb Sb Sb Sb Sb Sb Sb
Tb Tb Tb Tb Sb Sb Sb Sb Sb Sb Sb Sb 0 3 o o o 0 5 o - o 1 2 o o o 1 4 o + + 4 6 o - o 5 7 o + o 8 11 o o o 9 10 o o o 