data_[Sm12H2Ru4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8975]
_cell_length_b [11.9515]
_cell_length_c [8.0998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6HRu2Br3]
_chemical_formula_sum '[Sm12 H2 Ru4 Br6]'
_cell_volume [639.9255]
_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  8  0.2307  0.1666  0.1921  1.0
  Sm  Sm1  4  0.2310  0.5000  0.1913  1.0
  Ru  Ru2  4  0.0000  0.3334  0.0000  1.0
  H  H3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.1696  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]