data_TcGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   147.54
_cell_angle_beta   136.06
_cell_angle_gamma   55.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcGe
_chemical_formula_sum   'Tc2 Ge2'
_cell_volume   59.96
_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  Tc2  1  0.0  0.02  0.6  1.0
  Tc  Tc3  1  0.52  0.02  0.22  1.0
  Ge  Ge0  1  0.52  0.98  0.71  1.0
  Ge  Ge1  1  0.0  0.06  0.11  1.0

data_TcGe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.05
_cell_length_b   4.08
_cell_length_c   5.45
_cell_angle_alpha   111.97
_cell_angle_beta   106.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TcGe
_chemical_formula_sum   'Tc2 Ge2'
_cell_volume   59.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.04  0.31  0.04  1.0
  Ge  Ge1  2  0.46  0.16  0.42  1.0

Tc Tc Ge Ge