data_[Sm16Al2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5290]
_cell_length_b [5.2867]
_cell_length_c [7.1305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8AlHg2]
_chemical_formula_sum '[Sm16 Al2 Hg4]'
_cell_volume [664.6779]
_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  0.0199  0.0000  0.7717  1.0
  Sm  Sm1  4  0.0899  0.5000  0.4594  1.0
  Sm  Sm2  4  0.1654  0.5000  0.9751  1.0
  Sm  Sm3  4  0.1953  0.0000  0.3108  1.0
  Al  Al4  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg5  4  0.1799  0.0000  0.7203  1.0
]