data_Tc7Se6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.5
_cell_length_b   11.5
_cell_length_c   11.5
_cell_angle_alpha   26.03
_cell_angle_beta   26.03
_cell_angle_gamma   26.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc7Se6
_chemical_formula_sum   'Tc7 Se6'
_cell_volume   258.32
_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  0.0  0.52  0.69  1.0
  Tc  Tc7  1  0.28  0.74  0.69  1.0
  Tc  Tc8  1  0.72  0.74  0.69  1.0
  Tc  Tc9  1  0.0  0.48  0.63  1.0
  Tc  Tc10  1  0.28  0.26  0.63  1.0
  Tc  Tc11  1  0.72  0.26  0.63  1.0
  Tc  Tc12  1  0.0  0.0  0.0  1.0
  Se  Se0  1  0.0  0.0  0.98  1.0
  Se  Se1  1  0.0  0.0  0.35  1.0
  Se  Se2  1  0.0  0.0  0.51  1.0
  Se  Se3  1  0.0  0.0  0.81  1.0
  Se  Se4  1  0.0  0.0  0.86  1.0
  Se  Se5  1  0.0  0.0  0.46  1.0

data_Tc7Se6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   11.5
_cell_angle_alpha   76.98
_cell_angle_beta   76.98
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc7Se6
_chemical_formula_sum   'Tc7 Se6'
_cell_volume   258.32
_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  0.26  0.31  0.72  1.0
  Tc  Tc2  1  0.26  0.31  0.15  1.0
  Tc  Tc3  1  0.48  0.31  0.21  1.0
  Tc  Tc4  1  0.52  0.37  0.12  1.0
  Tc  Tc5  1  0.74  0.37  0.61  1.0
  Tc  Tc6  1  0.74  0.37  0.18  1.0
  Se  Se7  1  0.0  0.02  0.98  1.0
  Se  Se8  1  0.0  0.14  0.86  1.0
  Se  Se9  1  0.0  0.19  0.81  1.0
  Se  Se10  1  0.0  0.49  0.51  1.0
  Se  Se11  1  0.0  0.54  0.46  1.0
  Se  Se12  1  0.0  0.65  0.35  1.0

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