data_[Sm8Zn8Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5553]
_cell_length_b [17.2876]
_cell_length_c [9.5629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SmZnHg2]
_chemical_formula_sum '[Sm8 Zn8 Hg16]'
_cell_volume [753.0792]
_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  0.3021  0.7500  1
  Sm  Sm1  4  0.0000  0.5000  0.0000  1
  Zn  Zn2  8  0.0000  0.1427  0.0251  1
  Hg  Hg3  8  0.0000  0.3057  0.0928  1
  Hg  Hg4  4  0.0000  0.0576  0.2500  1
  Hg  Hg5  4  0.0000  0.1024  0.7500  1
]