data_[Sm8Ga8Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4630]
_cell_length_b [17.5973]
_cell_length_c [9.6640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SmGaHg2]
_chemical_formula_sum '[Sm8 Ga8 Hg16]'
_cell_volume [758.9849]
_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  4  0.0000  0.3037  0.7500  1
  Sm  Sm1  4  0.0000  0.5000  0.0000  1
  Ga  Ga2  8  0.0000  0.1402  0.0298  1
  Hg  Hg3  8  0.0000  0.3030  0.0947  1
  Hg  Hg4  4  0.0000  0.0521  0.2500  1
  Hg  Hg5  4  0.0000  0.1041  0.7500  1
]