data_[Na1Hg1H1O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.8770]
_cell_length_b [3.8770]
_cell_length_c [6.4164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [NaHgHO]
_chemical_formula_sum '[Na1 Hg1 H1 O1]'
_cell_volume [83.5257]
_cell_formula_units_Z [1]
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  1  0.6667  0.3333  0.5441  1.0
  Hg  Hg1  1  0.0000  0.0000  0.0251  1.0
  H  H2  1  0.3333  0.6667  0.3283  1.0
  O  O3  1  0.3333  0.6667  0.4803  1.0
]