data_[Sm4Cd8Hg20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [10.0546]
_cell_length_b [10.7874]
_cell_length_c [7.3139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [SmCd2Hg5]
_chemical_formula_sum '[Sm4 Cd8 Hg20]'
_cell_volume [793.2875]
_cell_formula_units_Z [4]
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  0.0014  0.2409  0.5000  1
  Cd  Cd1  4  0.0000  0.5000  0.2347  1
  Cd  Cd2  4  0.0036  0.2459  0.0000  1
  Hg  Hg3  8  0.2446  0.6836  0.2439  1
  Hg  Hg4  4  0.0000  0.0000  0.2415  1
  Hg  Hg5  4  0.2394  0.4390  0.5000  1
  Hg  Hg6  4  0.2471  0.4309  0.0000  1
]