data_Y2FeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   148.05
_cell_angle_beta   134.55
_cell_angle_gamma   56.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2FeRu
_chemical_formula_sum   'Y2 Fe1 Ru1'
_cell_volume   80.32
_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  0.0  0.0  0.14  1.0
  Y  Y3  1  0.0  0.31  0.46  1.0
  Fe  Fe0  1  0.0  0.0  0.95  1.0
  Ru  Ru1  1  0.65  0.0  0.99  1.0

data_Y2FeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.62
_cell_length_c   5.99
_cell_angle_alpha   112.72
_cell_angle_beta   105.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2FeRu
_chemical_formula_sum   'Y2 Fe1 Ru1'
_cell_volume   80.32
_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  0.54  0.85  0.85  1.0
  Y  Y1  1  0.86  0.86  0.86  1.0
  Fe  Fe2  1  0.05  0.05  0.05  1.0
  Ru  Ru3  1  0.66  0.01  0.66  1.0

Y Y Fe Ru