data_Y2TcRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   3.16
_cell_angle_alpha   101.71
_cell_angle_beta   101.71
_cell_angle_gamma   107.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TcRu
_chemical_formula_sum   'Y2 Tc1 Ru1'
_cell_volume   80.92
_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  Y2  1  0.04  0.15  0.49  1.0
  Y  Y3  1  0.04  0.85  0.49  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.17  0.0  0.0  1.0

data_Y2TcRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   107.22
_cell_angle_beta   101.71
_cell_angle_gamma   101.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TcRu
_chemical_formula_sum   'Y2 Tc1 Ru1'
_cell_volume   80.92
_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  0.49  0.04  0.85  1.0
  Y  Y1  1  0.49  0.04  0.15  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.17  0.0  1.0

Y Y Tc Ru