data_[Sm4H16Ru2]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6551]
_cell_length_b [4.3074]
_cell_length_c [12.8682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm2H8Ru]
_chemical_formula_sum '[Sm4 H16 Ru2]'
_cell_volume [202.5950]
_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  0.0000  0.5000  0.1457  1
  H  H1  8  0.0000  0.2707  0.6082  1
  H  H2  4  0.0000  0.0000  0.2387  1
  H  H3  4  0.0000  0.1854  0.0000  1
  Ru  Ru4  2  0.0000  0.5000  0.5000  1
]