data_[Cs3Sm3B6H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1687]
_cell_length_b [4.1687]
_cell_length_c [26.2220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CsSm(BH4)2]
_chemical_formula_sum '[Cs3 Sm3 B6 H24]'
_cell_volume [394.6271]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  3  -0.0000  -0.0000  0.5000  1
  Sm  Sm1  3  0.0000  0.0000  0.0000  1
  B  B2  6  0.0000  0.0000  0.2662  1
  H  H3  18  0.0075  0.5038  0.9489  1
  H  H4  6  0.0000  0.0000  0.7805  1
]