data_[Na4Be4Hg2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Be  1.5700  1.0500  0.5900
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5575]
_cell_length_b [8.1972]
_cell_length_c [8.9397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Be2HgI6]
_chemical_formula_sum '[Na4 Be4 Hg2 I12]'
_cell_volume [1038.8571]
_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  4  0.1539  0.0000  0.8178  1.0
  Be  Be1  4  0.1420  0.0000  0.2180  1.0
  Hg  Hg2  2  0.0000  0.5000  0.5000  1.0
  I  I3  8  0.1606  0.2429  0.1087  1.0
  I  I4  4  0.0817  0.0000  0.4012  1.0
]