data_[Sm4H16Ru4]
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 [C2/c]
_cell_length_a [5.1469]
_cell_length_b [9.3184]
_cell_length_c [5.6195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SmH4Ru]
_chemical_formula_sum '[Sm4 H16 Ru4]'
_cell_volume [254.5590]
_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  0.0000  0.3619  0.7500  1
  H  H1  8  0.0047  0.8759  0.9660  1
  H  H2  8  0.1550  0.4247  0.1636  1
  Ru  Ru3  4  0.0000  0.0491  0.7500  1
]