data_[Sm16Pd4Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.8698]
_cell_length_b [14.0872]
_cell_length_c [4.9303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sm8Pd2Ru3]
_chemical_formula_sum '[Sm16 Pd4 Ru6]'
_cell_volume [685.5064]
_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  8  0.2486  0.1186  0.5000  1
  Sm  Sm1  4  0.0000  0.1207  0.0000  1
  Sm  Sm2  4  0.0000  0.3819  0.0000  1
  Pd  Pd3  4  0.0000  0.2501  0.5000  1
  Ru  Ru4  4  0.2491  0.0000  0.0000  1
  Ru  Ru5  2  0.0000  0.0000  0.5000  1
]