data_[Sm16Sn4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0167]
_cell_length_b [13.6843]
_cell_length_c [6.2781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm4SnRu]
_chemical_formula_sum '[Sm16 Sn4 Ru4]'
_cell_volume [704.9577]
_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  0.1113  0.1710  0.5668  1.0
  Sm  Sm1  8  0.2182  0.4307  0.8418  1.0
  Sn  Sn2  4  0.0000  0.3724  0.2500  1.0
  Ru  Ru3  4  0.0000  0.0001  0.2500  1.0
]