data_[Na16Hg16P16]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [10.0122]
_cell_length_b [10.1690]
_cell_length_c [12.5995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [NaHgP]
_chemical_formula_sum '[Na16 Hg16 P16]'
_cell_volume [1282.8082]
_cell_formula_units_Z [16]
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  16  0.0000  0.0000  0.1345  1
  Hg  Hg1  16  0.1250  0.1250  0.6250  1
  P  P2  16  0.0000  0.2382  0.0000  1
]