[CIF]
data_FeRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66233401
_cell_length_b   3.73298504
_cell_length_c   5.29775610
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRu3
_chemical_formula_sum   'Fe1 Ru3'
_cell_volume   52.65150006
_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
  Fe  Fe0  1  0.00000000  0.00000000  0.00000000  1
  Ru  Ru1  1  0.00000000  0.00000000  2.64887805  1
  Ru  Ru2  1  1.33116700  1.86649252  1.26533572  1
  Ru  Ru3  1  1.33116700  1.86649252  4.03242037  1
[/CIF]
