data_[Sm16Hg4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2802]
_cell_length_b [5.2309]
_cell_length_c [6.9675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8Hg2Pd]
_chemical_formula_sum '[Sm16 Hg4 Pd2]'
_cell_volume [654.1854]
_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  0.0217  0.0000  0.7700  1
  Sm  Sm1  4  0.0895  0.5000  0.4510  1
  Sm  Sm2  4  0.1545  0.5000  0.9702  1
  Sm  Sm3  4  0.2023  0.0000  0.3175  1
  Hg  Hg4  4  0.1909  0.0000  0.7455  1
  Pd  Pd5  2  0.0000  0.5000  0.0000  1
]