data_[Sm6Be3H3Pd18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.2895]
_cell_length_b [6.2895]
_cell_length_c [13.9891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm2BeHPd6]
_chemical_formula_sum '[Sm6 Be3 H3 Pd18]'
_cell_volume [479.2360]
_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
[
  Sm  Sm0  6  0.0000  0.0000  0.2595  1.0
  Be  Be1  3  -0.0000  -0.0000  0.5000  1.0
  Pd  Pd2  18  0.0261  0.5131  0.7515  1.0
  H  H3  3  0.0000  0.0000  0.0000  1.0
]