data_[Sm8Sn4Ru2]
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/m]
_cell_length_a [11.3669]
_cell_length_b [4.7730]
_cell_length_c [8.9048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm4Sn2Ru]
_chemical_formula_sum '[Sm8 Sn4 Ru2]'
_cell_volume [394.4704]
_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  0.0682  0.0000  0.3573  1
  Sm  Sm1  4  0.1677  0.5000  0.0514  1
  Sn  Sn2  4  0.1635  0.5000  0.6748  1
  Ru  Ru3  2  0.0000  0.0000  0.0000  1
]