data_Tc5Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc5Se3
_chemical_formula_sum   'Tc10 Se6'
_cell_volume   250.74
_cell_formula_units_Z   2
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  0.52  0.03  0.91  1.0
  Tc  Tc7  1  0.0  0.07  0.0  1.0
  Tc  Tc8  1  0.0  0.07  0.91  1.0
  Tc  Tc9  1  0.52  0.03  0.0  1.0
  Tc  Tc10  1  0.23  0.8  0.37  1.0
  Tc  Tc11  1  0.25  0.31  0.46  1.0
  Tc  Tc12  1  0.75  0.31  0.37  1.0
  Tc  Tc13  1  0.54  0.0  0.37  1.0
  Tc  Tc14  1  0.51  0.0  0.46  1.0
  Tc  Tc15  1  0.77  0.8  0.46  1.0
  Se  Se0  1  0.55  0.52  0.37  1.0
  Se  Se1  1  0.93  0.59  0.46  1.0
  Se  Se2  1  0.07  0.59  0.37  1.0
  Se  Se3  1  0.9  0.0  0.37  1.0
  Se  Se4  1  0.14  0.0  0.46  1.0
  Se  Se5  1  0.45  0.52  0.46  1.0

data_Tc5Se3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.83
_cell_length_b   7.05
_cell_length_c   7.05
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc5Se3
_chemical_formula_sum   'Tc10 Se6'
_cell_volume   250.74
_cell_formula_units_Z   2
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  0.07  1.0
  Tc  Tc1  1  0.0  0.52  0.03  1.0
  Tc  Tc2  1  0.37  0.23  0.8  1.0
  Tc  Tc3  1  0.37  0.54  0.0  1.0
  Tc  Tc4  1  0.37  0.75  0.31  1.0
  Tc  Tc5  1  0.46  0.25  0.31  1.0
  Tc  Tc6  1  0.46  0.51  0.0  1.0
  Tc  Tc7  1  0.46  0.77  0.8  1.0
  Tc  Tc8  1  0.91  -0.0  0.07  1.0
  Tc  Tc9  1  0.91  0.52  0.03  1.0
  Se  Se10  1  0.37  0.07  0.59  1.0
  Se  Se11  1  0.37  0.55  0.52  1.0
  Se  Se12  1  0.37  0.9  0.0  1.0
  Se  Se13  1  0.46  0.14  0.0  1.0
  Se  Se14  1  0.46  0.45  0.52  1.0
  Se  Se15  1  0.46  0.93  0.59  1.0

Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Se Se Se Se Se Se
Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Se Se Se Se Se Se 0 3 o o + 1 2 o o - 4 12 o o o 4 14 o + o 5 15 o o o 5 14 o o o 6 8 o o o 6 7 o o o 6 12 + o o 6 11 o o o 7 8 o o o 9 13 o + o 10 15 o o o 11 12 + o o 13 14 + o o 