[CIF]
data_FeRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36651356
_cell_length_b   5.36651356
_cell_length_c   4.22524689
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRu3
_chemical_formula_sum   'Fe2 Ru6'
_cell_volume   105.38218147
_cell_formula_units_Z   2
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  3.09835805  1.05631172  1
  Fe  Fe1  1  2.68325678  1.54917902  3.16893517  1
  Ru  Ru2  1  -1.32103524  3.86105810  3.16893517  1
  Ru  Ru3  1  -0.00000000  1.57295795  3.16893517  1
  Ru  Ru4  1  1.36222154  0.78647897  1.05631172  1
  Ru  Ru5  1  1.32103524  3.86105810  3.16893517  1
  Ru  Ru6  1  2.68325678  3.07457913  1.05631172  1
  Ru  Ru7  1  4.00429202  0.78647897  1.05631172  1
[/CIF]
