data_TcRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78
_cell_length_b   8.78
_cell_length_c   8.78
_cell_angle_alpha   162.43
_cell_angle_beta   152.79
_cell_angle_gamma   32.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcRu2
_chemical_formula_sum   'Tc2 Ru4'
_cell_volume   93.46
_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  0.0  0.03  0.29  1.0
  Tc  Tc5  1  0.34  0.03  0.14  1.0
  Ru  Ru0  1  0.0  0.03  0.62  1.0
  Ru  Ru1  1  0.0  0.03  0.15  1.0
  Ru  Ru2  1  0.34  0.03  0.28  1.0
  Ru  Ru3  1  0.34  0.03  0.81  1.0

data_TcRu2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.68
_cell_length_b   4.13
_cell_length_c   8.78
_cell_angle_alpha   103.61
_cell_angle_beta   98.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TcRu2
_chemical_formula_sum   'Tc2 Ru4'
_cell_volume   93.46
_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  0.25  0.42  0.25  1.0
  Ru  Ru1  2  0.08  0.91  0.08  1.0
  Ru  Ru2  2  0.4  0.57  0.4  1.0

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