data_[Sm2U2Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  U  1.3800  1.7500  0.9913
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9364]
_cell_length_b [6.2440]
_cell_length_c [6.3048]
_cell_angle_alpha [72.9422]
_cell_angle_beta [84.3073]
_cell_angle_gamma [64.7081]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SmURu3]
_chemical_formula_sum '[Sm2 U2 Ru6]'
_cell_volume [201.9120]
_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  1  0.0507  0.4430  0.2805  1
  Sm  Sm1  1  0.5031  0.4070  0.6430  1
  U  U2  1  0.1584  0.0682  0.8651  1
  U  U3  1  0.7085  0.0934  0.2173  1
  Ru  Ru4  1  0.2845  0.8985  0.2444  1
  Ru  Ru5  1  0.4784  0.9034  0.6011  1
  Ru  Ru6  1  0.5467  0.5150  0.0914  1
  Ru  Ru7  1  0.7130  0.8903  0.9613  1
  Ru  Ru8  1  0.9326  0.4887  0.7721  1
  Ru  Ru9  1  0.9744  0.9094  0.5629  1
]