data_[Sm4Ru4O16F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6811]
_cell_length_b [7.3709]
_cell_length_c [7.0448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmRuO4F]
_chemical_formula_sum '[Sm4 Ru4 O16 F4]'
_cell_volume [482.5059]
_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  4  0.2027  0.0000  0.0983  1.0
  Ru  Ru1  4  0.1502  0.5000  0.2887  1.0
  O  O2  8  0.2029  0.3213  0.1426  1.0
  O  O3  4  0.0375  0.5000  0.7484  1.0
  O  O4  4  0.2487  0.5000  0.5392  1.0
  F  F5  4  0.0118  0.0000  0.8254  1.0
]