data_[Sm6Zn45Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0872]
_cell_length_b [9.0872]
_cell_length_c [12.9358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm2Zn15Ru2]
_chemical_formula_sum '[Sm6 Zn45 Ru6]'
_cell_volume [925.0971]
_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
[
  Sm  Sm0  6  0.0000  0.0000  0.3354  1.0
  Zn  Zn1  18  0.0000  0.2839  0.0000  1.0
  Zn  Zn2  18  0.0007  0.5003  0.8497  1.0
  Zn  Zn3  9  0.0000  0.5000  0.5000  1.0
  Ru  Ru4  6  0.0000  0.0000  0.1017  1.0
]