data_Tc7Br6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.19
_cell_length_b   11.19
_cell_length_c   11.19
_cell_angle_alpha   29.21
_cell_angle_beta   29.21
_cell_angle_gamma   29.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc7Br6
_chemical_formula_sum   'Tc7 Br6'
_cell_volume   294.97
_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  Tc6  1  0.48  0.12  0.61  1.0
  Tc  Tc7  1  0.0  0.75  0.61  1.0
  Tc  Tc8  1  0.52  0.12  0.61  1.0
  Tc  Tc9  1  0.52  0.88  0.49  1.0
  Tc  Tc10  1  0.48  0.88  0.49  1.0
  Tc  Tc11  1  0.0  0.25  0.49  1.0
  Tc  Tc12  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.41  1.0
  Br  Br1  1  0.0  0.0  0.69  1.0
  Br  Br2  1  0.0  0.0  0.22  1.0
  Br  Br3  1  0.0  0.0  0.89  1.0
  Br  Br4  1  0.0  0.0  0.35  1.0
  Br  Br5  1  0.0  0.0  0.75  1.0

data_Tc7Br6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   11.19
_cell_angle_alpha   75.39
_cell_angle_beta   75.39
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc7Br6
_chemical_formula_sum   'Tc7 Br6'
_cell_volume   294.97
_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  Tc0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.12  0.51  0.85  1.0
  Tc  Tc2  1  0.12  0.51  0.89  1.0
  Tc  Tc3  1  0.25  0.39  0.36  1.0
  Tc  Tc4  1  0.75  0.51  0.74  1.0
  Tc  Tc5  1  0.88  0.39  0.22  1.0
  Tc  Tc6  1  0.88  0.39  0.25  1.0
  Br  Br7  1  0.0  0.11  0.89  1.0
  Br  Br8  1  0.0  0.25  0.75  1.0
  Br  Br9  1  0.0  0.31  0.69  1.0
  Br  Br10  1  0.0  0.59  0.41  1.0
  Br  Br11  1  0.0  0.65  0.35  1.0
  Br  Br12  1  0.0  0.78  0.22  1.0

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