data_Tc4Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86
_cell_length_b   7.86
_cell_length_c   7.86
_cell_angle_alpha   92.47
_cell_angle_beta   92.47
_cell_angle_gamma   156.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc4Br5
_chemical_formula_sum   'Tc4 Br5'
_cell_volume   193.0
_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
  Tc  Tc5  1  0.0  0.82  0.0  1.0
  Tc  Tc6  1  0.0  0.06  0.0  1.0
  Tc  Tc7  1  0.06  0.0  0.0  1.0
  Tc  Tc8  1  0.82  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.21  0.79  0.63  1.0
  Br  Br2  1  0.79  0.21  0.63  1.0
  Br  Br3  1  0.65  0.65  0.0  1.0
  Br  Br4  1  0.79  0.79  0.63  1.0

data_Tc4Br5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.26
_cell_length_b   15.38
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   101.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc4Br5
_chemical_formula_sum   'Tc8 Br10'
_cell_volume   386.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -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
  Tc  Tc0  4  0.09  0.09  -0.0  1.0
  Tc  Tc1  4  0.47  0.47  0.0  1.0
  Br  Br2  4  0.0  0.21  0.37  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0
  Br  Br4  2  0.21  0.0  0.37  1.0
  Br  Br5  2  0.35  0.0  -0.0  1.0

Tc Tc Tc Tc Br Br Br Br Br
Tc Tc Tc Tc Br Br Br Br Br 0 2 o + o 0 8 - o - 1 4 o o o 1 3 - o o 1 7 - - o 1 8 - - - 2 4 o o o 2 7 - - o 2 8 - - - 3 8 o - - 4 7 - - o 4 8 - - - 5 6 - o o 5 6 o + o 5 8 - o o 6 8 o - o 7 8 o o - 7 8 - - - 8 8 + + o 