data_ReTcRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.1
_cell_length_b   9.1
_cell_length_c   9.1
_cell_angle_alpha   17.23
_cell_angle_beta   17.23
_cell_angle_gamma   17.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTcRu2
_chemical_formula_sum   'Re1 Tc1 Ru2'
_cell_volume   57.79
_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
  Re  Re0  1  0.0  0.0  0.11  1.0
  Tc  Tc3  1  0.0  0.0  0.52  1.0
  Ru  Ru1  1  0.0  0.0  0.03  1.0
  Ru  Ru2  1  0.0  0.0  0.69  1.0

data_ReTcRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   2.73
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   99.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReTcRu2
_chemical_formula_sum   'Re2 Tc2 Ru4'
_cell_volume   115.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.48  1.0
  Re  Re1  2  0.0  0.0  0.89  1.0
  Ru  Ru2  2  0.0  0.0  0.31  1.0
  Ru  Ru3  2  0.0  0.0  0.97  1.0

Re Tc Ru Ru
Re Tc Ru Ru 0 2 o o o 1 3 o o o 