data_TcGe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   11.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcGe5
_chemical_formula_sum   'Tc1 Ge5'
_cell_volume   107.08
_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  0.53  0.53  0.69  1.0
  Ge  Ge0  1  0.0  0.0  0.21  1.0
  Ge  Ge1  1  0.0  0.0  0.17  1.0
  Ge  Ge2  1  0.53  0.53  0.03  1.0
  Ge  Ge3  1  0.53  0.53  0.35  1.0
  Ge  Ge4  1  0.0  0.0  0.0  1.0

data_TcGe5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   11.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcGe5
_chemical_formula_sum   'Tc2 Ge10'
_cell_volume   214.15
_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  2  0.03  0.5  0.69  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Ge  Ge2  2  0.0  0.0  0.17  1.0
  Ge  Ge3  2  0.0  0.0  0.21  1.0
  Ge  Ge4  2  0.03  0.5  0.03  1.0
  Ge  Ge5  2  0.03  0.5  0.35  1.0

Tc Ge Ge Ge Ge Ge
Tc Ge Ge Ge Ge Ge 0 0 + o o 0 0 o + o 1 2 o o o 1 4 o o o 1 4 o - o 1 4 - o o 1 4 - - o 1 5 o o o 2 3 - - o 2 4 o o o 2 4 o - o 2 4 - o o 2 4 - - o 2 5 o o o 3 5 o o o 3 5 o + o 3 5 + o o 3 5 + + o 4 4 + o o 4 4 o + o 