data_[Rb6Fe9Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Fe  1.8300  1.4000  0.8525
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0982]
_cell_length_b [4.0982]
_cell_length_c [35.9770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Rb2Fe3Ru2]
_chemical_formula_sum '[Rb6 Fe9 Ru6]'
_cell_volume [523.2875]
_cell_formula_units_Z [3]
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
[
  Rb  Rb0  3  0.0000  0.0000  0.2604  1
  Rb  Rb1  3  0.0000  0.0000  0.8164  1
  Fe  Fe2  3  0.0000  0.0000  0.0745  1
  Fe  Fe3  3  0.0000  0.0000  0.3457  1
  Fe  Fe4  3  0.0000  0.0000  0.7091  1
  Ru  Ru5  3  0.0000  0.0000  0.0095  1
  Ru  Ru6  3  0.0000  0.0000  0.4095  1
]