data_[Na2Sm4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1403]
_cell_length_b [5.0577]
_cell_length_c [7.2555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(SmHg4)2]
_chemical_formula_sum '[Na2 Sm4 Hg16]'
_cell_volume [552.9036]
_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
[
  Na  Na0  2  0.0000  0.5000  0.0000  1
  Sm  Sm1  4  0.2086  0.0000  0.6682  1
  Hg  Hg2  4  0.0186  0.0000  0.7255  1
  Hg  Hg3  4  0.1069  0.5000  0.4332  1
  Hg  Hg4  4  0.1550  0.0000  0.1778  1
  Hg  Hg5  4  0.1588  0.5000  0.8865  1
]