data_[Cs2Na1Hg7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.2716]
_cell_length_b [5.2716]
_cell_length_c [14.0005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Cs2NaHg7]
_chemical_formula_sum '[Cs2 Na1 Hg7]'
_cell_volume [389.0774]
_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
[
  Cs  Cs0  2  0.0000  0.5000  0.2630  1.0
  Na  Na1  1  0.5000  0.5000  0.0000  1.0
  Hg  Hg2  2  0.0000  0.5000  0.6289  1.0
  Hg  Hg3  2  0.0000  0.5000  0.8651  1.0
  Hg  Hg4  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg5  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg6  1  0.5000  0.5000  0.5000  1.0
]