data_[Sm16Zn2Ru4]
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 [Cm]
_cell_length_a [8.7535]
_cell_length_b [13.2132]
_cell_length_c [5.6652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sm8ZnRu2]
_chemical_formula_sum '[Sm16 Zn2 Ru4]'
_cell_volume [633.8284]
_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  0.1953  0.1285  0.5773  1
  Sm  Sm1  4  0.2958  0.3708  0.4230  1
  Sm  Sm2  4  0.4945  0.2576  0.0003  1
  Sm  Sm3  2  0.1177  0.5000  0.8052  1
  Sm  Sm4  2  0.3811  0.0000  0.1993  1
  Zn  Zn5  2  0.0006  0.0000  0.9871  1
  Ru  Ru6  4  0.4977  0.1952  0.5038  1
]