data_YTcRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   5.14
_cell_angle_alpha   104.19
_cell_angle_beta   104.19
_cell_angle_gamma   35.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTcRu2
_chemical_formula_sum   'Y1 Tc1 Ru2'
_cell_volume   69.68
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.02  0.0  0.48  1.0
  Ru  Ru0  1  0.26  0.0  0.45  1.0
  Ru  Ru1  1  0.78  0.0  0.52  1.0

data_YTcRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.92
_cell_length_c   5.14
_cell_angle_alpha   104.19
_cell_angle_beta   90.0
_cell_angle_gamma   107.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTcRu2
_chemical_formula_sum   'Y1 Tc1 Ru2'
_cell_volume   69.68
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.98  0.52  1.0
  Ru  Ru2  1  0.0  0.22  0.48  1.0
  Ru  Ru3  1  0.0  0.74  0.55  1.0

Y Tc Ru Ru
Y Tc Ru Ru 0 3 - o - 0 1 o o - 0 1 o o o 0 2 o o o 1 3 - o o 1 2 o o o 