data_Tc(GeSb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19
_cell_length_b   9.19
_cell_length_c   9.19
_cell_angle_alpha   158.15
_cell_angle_beta   158.15
_cell_angle_gamma   31.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc(GeSb)2
_chemical_formula_sum   'Tc1 Ge2 Sb2'
_cell_volume   107.48
_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  Tc4  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.74  0.43  1.0
  Ge  Ge1  1  0.74  0.0  0.43  1.0
  Sb  Sb2  1  0.0  0.0  0.41  1.0
  Sb  Sb3  1  0.0  0.0  0.3  1.0

data_Tc(GeSb)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   105.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc(GeSb)2
_chemical_formula_sum   'Tc2 Ge4 Sb4'
_cell_volume   214.95
_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  0.0  0.0  0.0  1.0
  Ge  Ge1  4  0.37  0.63  0.31  1.0
  Sb  Sb2  2  0.0  0.0  0.59  1.0
  Sb  Sb3  2  0.0  0.0  0.7  1.0

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