data_[Sm18Ru6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0039]
_cell_length_b [10.0039]
_cell_length_c [9.8000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm3RuO6]
_chemical_formula_sum '[Sm18 Ru6 O36]'
_cell_volume [849.3623]
_cell_formula_units_Z [6]
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  18  0.0480  0.7807  0.6674  1.0
  Ru  Ru1  3  0.0000  0.0000  0.0000  1.0
  Ru  Ru2  3  0.0000  0.0000  0.5000  1.0
  O  O3  18  0.0330  0.8253  0.4060  1.0
  O  O4  18  0.0427  0.8448  0.8965  1.0
]