data_[Na4Ag4Hg4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3796]
_cell_length_b [4.3158]
_cell_length_c [8.5220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaAgHgSe2]
_chemical_formula_sum '[Na4 Ag4 Hg4 Se8]'
_cell_volume [549.3688]
_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
[
  Na  Na0  4  0.2252  0.5000  0.7114  1.0
  Ag  Ag1  4  0.1371  0.5000  0.0562  1.0
  Hg  Hg2  4  0.0252  0.0000  0.2771  1.0
  Se  Se3  4  0.1313  0.5000  0.3624  1.0
  Se  Se4  4  0.1417  0.0000  0.8752  1.0
]