data_[Sm16Al4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9184]
_cell_length_b [13.5949]
_cell_length_c [6.1962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm4AlRu]
_chemical_formula_sum '[Sm16 Al4 Ru4]'
_cell_volume [676.7625]
_cell_formula_units_Z [4]
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  0.1154  0.1761  0.0750  1
  Sm  Sm1  8  0.2154  0.4309  0.3302  1
  Al  Al2  4  0.0000  0.3738  0.7500  1
  Ru  Ru3  4  0.0000  0.0005  0.2500  1
]