data_FeTcRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   147.07
_cell_angle_beta   129.68
_cell_angle_gamma   61.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTcRu2
_chemical_formula_sum   'Fe1 Tc1 Ru2'
_cell_volume   55.17
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.39  1.0
  Ru  Ru1  1  0.0  0.17  0.39  1.0
  Ru  Ru2  1  0.45  0.0  0.0  1.0

data_FeTcRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.34
_cell_length_c   5.11
_cell_angle_alpha   115.16
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTcRu2
_chemical_formula_sum   'Fe1 Tc1 Ru2'
_cell_volume   55.17
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.39  0.39  1.0
  Ru  Ru2  1  0.0  0.0  0.55  1.0
  Ru  Ru3  1  0.83  0.22  0.22  1.0

Fe Tc Ru Ru