data_YTcRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   149.58
_cell_angle_beta   131.69
_cell_angle_gamma   58.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTcRu2
_chemical_formula_sum   'Y1 Tc1 Ru2'
_cell_volume   68.49
_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  0.44  1.0
  Tc  Tc2  1  0.49  0.0  0.66  1.0
  Ru  Ru0  1  0.49  0.0  0.27  1.0
  Ru  Ru1  1  0.0  0.0  0.5  1.0

data_YTcRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.64
_cell_length_c   5.67
_cell_angle_alpha   114.15
_cell_angle_beta   105.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTcRu2
_chemical_formula_sum   'Y1 Tc1 Ru2'
_cell_volume   68.49
_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  0.56  0.56  0.56  1.0
  Tc  Tc1  1  0.83  0.34  0.83  1.0
  Ru  Ru2  1  0.22  0.73  0.22  1.0
  Ru  Ru3  1  0.5  0.5  0.5  1.0

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