data_Tb5Br8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.37
_cell_length_b   10.37
_cell_length_c   14.12
_cell_angle_alpha   130.71
_cell_angle_beta   130.71
_cell_angle_gamma   21.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb5Br8
_chemical_formula_sum   'Tb5 Br8'
_cell_volume   423.47
_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
  Tb  Tb0  1  0.22  0.0  0.67  1.0
  Tb  Tb1  1  0.75  0.0  0.89  1.0
  Tb  Tb2  1  0.94  0.0  0.97  1.0
  Tb  Tb3  1  0.03  0.0  0.58  1.0
  Tb  Tb4  1  0.0  0.0  0.0  1.0
  Br  Br5  1  0.47  0.0  0.12  1.0
  Br  Br6  1  0.5  0.0  0.43  1.0
  Br  Br7  1  0.05  0.0  0.49  1.0
  Br  Br8  1  0.92  0.0  0.06  1.0
  Br  Br9  1  0.93  0.0  0.08  1.0
  Br  Br10  1  0.89  0.0  0.78  1.0
  Br  Br11  1  0.08  0.0  0.78  1.0
  Br  Br12  1  0.04  0.0  0.47  1.0

data_Tb5Br8
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   10.37
_cell_length_c   10.77
_cell_angle_alpha   83.85
_cell_angle_beta   79.45
_cell_angle_gamma   79.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb5Br8
_chemical_formula_sum   'Tb5 Br8'
_cell_volume   423.47
_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
  Tb  Tb0  1  0.0  0.0  0.0  1.0
  Tb  Tb1  1  0.0  0.45  0.58  1.0
  Tb  Tb2  1  0.0  0.55  0.67  1.0
  Tb  Tb3  1  0.0  0.87  0.89  1.0
  Tb  Tb4  1  0.0  0.96  0.97  1.0
  Br  Br5  1  0.0  0.07  0.43  1.0
  Br  Br6  1  0.0  0.11  0.78  1.0
  Br  Br7  1  0.0  0.31  0.78  1.0
  Br  Br8  1  0.0  0.35  0.12  1.0
  Br  Br9  1  0.0  0.56  0.49  1.0
  Br  Br10  1  0.0  0.57  0.47  1.0
  Br  Br11  1  0.0  0.85  0.08  1.0
  Br  Br12  1  0.0  0.86  0.06  1.0

Tb Tb Tb Tb Tb Br Br Br Br Br Br Br Br
Tb Tb Tb Tb Tb Br Br Br Br Br Br Br Br 0 3 o o o 1 2 o o o 1 6 o o o 2 4 + o + 2 5 + o + 2 10 o o o 3 12 o o o 3 7 o o o 3 6 - o o 3 11 o o o 4 5 - + o 4 5 o o o 4 6 o o o 4 10 - o - 5 11 + - - 5 11 o o - 5 10 - o - 5 5 + - o 5 12 + o o 5 7 + o o 5 6 o o o 6 9 - o o 6 8 - o o 6 6 + - o 6 11 + o o 6 10 o o o 6 10 - + o 7 12 o o o 8 9 o o o 10 11 + o o 