data_[Na2Sr1Hg9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7733]
_cell_length_b [4.7733]
_cell_length_c [14.0989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Na2SrHg9]
_chemical_formula_sum '[Na2 Sr1 Hg9]'
_cell_volume [321.2279]
_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  2  0.0000  0.0000  0.3388  1
  Sr  Sr1  1  0.0000  0.0000  0.0000  1
  Hg  Hg2  4  0.0000  0.5000  0.1756  1
  Hg  Hg3  2  0.0000  0.5000  0.5000  1
  Hg  Hg4  2  0.5000  0.5000  0.3346  1
  Hg  Hg5  1  0.5000  0.5000  0.0000  1
]