data_[Sm4Zn2Hg16]
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 [C2/m]
_cell_length_a [17.7947]
_cell_length_b [4.8877]
_cell_length_c [6.6505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2ZnHg8]
_chemical_formula_sum '[Sm4 Zn2 Hg16]'
_cell_volume [543.1669]
_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  0.2054  0.0000  0.6968  1.0
  Zn  Zn1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  4  0.0078  0.0000  0.7297  1.0
  Hg  Hg3  4  0.1169  0.5000  0.3999  1.0
  Hg  Hg4  4  0.1308  0.5000  0.8648  1.0
  Hg  Hg5  4  0.1696  0.0000  0.1784  1.0
]