data_[Sm16Zn4Ru2]
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 [C2/m]
_cell_length_a [17.8318]
_cell_length_b [5.1990]
_cell_length_c [6.8625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8Zn2Ru]
_chemical_formula_sum '[Sm16 Zn4 Ru2]'
_cell_volume [617.9286]
_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
[
  Sm  Sm0  4  0.0283  0.0000  0.7869  1.0
  Sm  Sm1  4  0.0894  0.5000  0.4343  1.0
  Sm  Sm2  4  0.1573  0.5000  0.9606  1.0
  Sm  Sm3  4  0.1997  0.0000  0.3117  1.0
  Zn  Zn4  4  0.1915  0.0000  0.7303  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]