data_Tc2GeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   4.05
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   104.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2GeRu
_chemical_formula_sum   'Tc2 Ge1 Ru1'
_cell_volume   58.03
_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  Tc2  1  0.27  0.0  0.09  1.0
  Tc  Tc3  1  0.23  0.02  0.38  1.0
  Ge  Ge0  1  0.8  0.0  0.49  1.0
  Ru  Ru1  1  0.87  0.02  0.87  1.0

data_Tc2GeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.05
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   104.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2GeRu
_chemical_formula_sum   'Tc2 Ge1 Ru1'
_cell_volume   58.03
_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  0.23  0.02  0.38  1.0
  Tc  Tc1  1  0.27  0.0  0.09  1.0
  Ge  Ge2  1  0.8  0.0  0.49  1.0
  Ru  Ru3  1  0.87  0.02  0.87  1.0

Tc Tc Ge Ru
Tc Tc Ge Ru 0 3 - o - 0 1 o o o 1 2 - o o 1 2 o o o 