data_ReTc2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTc2Ru
_chemical_formula_sum   'Re1 Tc2 Ru1'
_cell_volume   58.83
_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  0.55  0.0  0.33  1.0
  Tc  Tc2  1  0.55  0.0  0.01  1.0
  Tc  Tc3  1  0.0  0.0  0.54  1.0
  Ru  Ru1  1  0.0  0.0  0.17  1.0

data_ReTc2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTc2Ru
_chemical_formula_sum   'Re1 Tc2 Ru1'
_cell_volume   58.83
_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  0.0  0.0  0.54  1.0
  Tc  Tc1  1  0.55  0.0  0.01  1.0
  Re  Re2  1  0.55  0.0  0.33  1.0
  Ru  Ru3  1  0.0  0.0  0.17  1.0

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