data_Tc2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.45
_cell_length_b   8.45
_cell_length_c   8.45
_cell_angle_alpha   156.47
_cell_angle_beta   156.47
_cell_angle_gamma   33.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2Ru
_chemical_formula_sum   'Tc4 Ru2'
_cell_volume   96.21
_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  0.72  0.0  0.81  1.0
  Tc  Tc3  1  0.72  0.0  0.28  1.0
  Tc  Tc4  1  0.0  0.0  0.86  1.0
  Tc  Tc5  1  0.0  0.0  0.33  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.72  0.05  1.0

data_Tc2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   8.45
_cell_angle_alpha   101.77
_cell_angle_beta   101.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2Ru
_chemical_formula_sum   'Tc4 Ru2'
_cell_volume   96.21
_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  0.14  0.0  0.14  1.0
  Tc  Tc1  1  0.19  0.0  0.91  1.0
  Tc  Tc2  1  0.67  0.0  0.67  1.0
  Tc  Tc3  1  0.72  0.0  0.44  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0
  Ru  Ru5  1  0.68  0.72  0.68  1.0

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