data_[Sm96H40Os24]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [15.4237]
_cell_length_b [15.4237]
_cell_length_c [15.4237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Sm12H5Os3]
_chemical_formula_sum '[Sm96 H40 Os24]'
_cell_volume [3669.1455]
_cell_formula_units_Z [8]
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  96  0.0318  0.0629  0.6557  1
  Os  Os1  24  0.0000  0.2500  0.1250  1
  H  H2  24  0.0000  0.2500  0.3750  1
  H  H3  16  0.0000  0.0000  0.0000  1
]