data_[Sm4U2Ta2Ru12]
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
  Ta  1.5000  1.4500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6080]
_cell_length_b [5.6463]
_cell_length_c [6.8468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2UTaRu6]
_chemical_formula_sum '[Sm4 U2 Ta2 Ru12]'
_cell_volume [363.4227]
_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  0.1586  0.0000  0.4265  1
  U  U1  2  0.0000  0.0000  0.0000  1
  Ta  Ta2  2  0.0000  0.5000  0.5000  1
  Ru  Ru3  8  0.1483  0.2548  0.8218  1
  Ru  Ru4  4  0.1088  0.5000  0.1629  1
]