data_[Sm24Sn4Ru8]
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 [Immm]
_cell_length_a [9.5788]
_cell_length_b [9.7641]
_cell_length_c [10.6182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm6SnRu2]
_chemical_formula_sum '[Sm24 Sn4 Ru8]'
_cell_volume [993.1019]
_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  0.0000  0.2049  0.2381  1
  Sm  Sm1  8  0.1873  0.5000  0.1700  1
  Sm  Sm2  8  0.2129  0.3179  0.5000  1
  Sn  Sn3  2  0.0000  0.0000  0.0000  1
  Sn  Sn4  2  0.0000  0.0000  0.5000  1
  Ru  Ru5  4  0.0000  0.3236  0.0000  1
  Ru  Ru6  4  0.0000  0.5000  0.3731  1
]