data_Tc3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   5.23
_cell_length_c   8.03
_cell_angle_alpha   58.88
_cell_angle_beta   40.09
_cell_angle_gamma   81.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc3Ru2
_chemical_formula_sum   'Tc6 Ru4'
_cell_volume   144.95
_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  Tc4  1  0.13  0.85  0.92  1.0
  Tc  Tc5  1  0.19  0.22  0.92  1.0
  Tc  Tc6  1  0.46  0.48  0.11  1.0
  Tc  Tc7  1  0.52  0.12  0.11  1.0
  Tc  Tc8  1  0.66  0.53  0.45  1.0
  Tc  Tc9  1  0.33  0.27  0.88  1.0
  Ru  Ru0  1  0.64  0.15  1.0  1.0
  Ru  Ru1  1  0.68  0.92  1.0  1.0
  Ru  Ru2  1  0.97  0.65  0.81  1.0
  Ru  Ru3  1  0.35  0.42  0.81  1.0

data_Tc3Ru2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   5.23
_cell_length_c   6.95
_cell_angle_alpha   81.04
_cell_angle_beta   69.98
_cell_angle_gamma   62.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc3Ru2
_chemical_formula_sum   'Tc6 Ru4'
_cell_volume   144.95
_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  0.34  0.02  0.11  1.0
  Tc  Tc1  1  0.48  0.77  0.63  1.0
  Tc  Tc2  1  0.54  0.4  0.57  1.0
  Tc  Tc3  1  0.67  0.85  0.21  1.0
  Tc  Tc4  1  0.81  0.86  0.11  1.0
  Tc  Tc5  1  0.87  0.23  0.05  1.0
  Ru  Ru6  1  0.03  0.54  0.78  1.0
  Ru  Ru7  1  0.32  0.09  0.67  1.0
  Ru  Ru8  1  0.36  0.85  0.64  1.0
  Ru  Ru9  1  0.65  0.78  0.15  1.0

Tc Tc Tc Tc Tc Tc Ru Ru Ru Ru
Tc Tc Tc Tc Tc Tc Ru Ru Ru Ru 0 8 - o o 0 4 - o + 0 1 o + o 0 5 o + o 1 5 o o o 1 8 - o o 2 3 o o o 2 6 o o - 2 8 o o - 2 7 o o - 3 6 o o - 3 8 o o - 3 8 - - o 4 9 o o o 4 5 o o o 5 9 o o o 6 7 o - o 6 8 o o o 7 8 o o o 8 9 + o o 