data_[Sm8Tl2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2783]
_cell_length_b [7.5375]
_cell_length_c [8.4766]
_cell_angle_alpha [112.7225]
_cell_angle_beta [103.1937]
_cell_angle_gamma [95.9960]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm4TlRu]
_chemical_formula_sum '[Sm8 Tl2 Ru2]'
_cell_volume [351.8466]
_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  2  0.0582  0.9098  0.2593  1.0
  Sm  Sm1  2  0.1060  0.3654  0.2129  1.0
  Sm  Sm2  2  0.3802  0.7992  0.6453  1.0
  Sm  Sm3  2  0.4652  0.7140  0.0349  1.0
  Tl  Tl4  2  0.2737  0.3422  0.6068  1.0
  Ru  Ru5  2  0.2464  0.0020  0.0024  1.0
]