data_ZnFe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.55
_cell_angle_alpha   100.8
_cell_angle_beta   100.8
_cell_angle_gamma   33.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2Ru
_chemical_formula_sum   'Zn1 Fe2 Ru1'
_cell_volume   51.04
_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
  Zn  Zn3  1  0.27  0.0  0.08  1.0
  Fe  Fe0  1  0.74  0.0  0.44  1.0
  Fe  Fe1  1  0.5  0.0  0.35  1.0
  Ru  Ru2  1  0.92  0.0  0.29  1.0

data_ZnFe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.53
_cell_length_c   4.55
_cell_angle_alpha   100.8
_cell_angle_beta   90.0
_cell_angle_gamma   106.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2Ru
_chemical_formula_sum   'Zn1 Fe2 Ru1'
_cell_volume   51.04
_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
  Zn  Zn0  1  0.0  0.73  0.92  1.0
  Fe  Fe1  1  0.0  0.26  0.56  1.0
  Fe  Fe2  1  0.0  0.5  0.65  1.0
  Ru  Ru3  1  0.0  0.08  0.71  1.0

Zn Fe Fe Ru