data_[Cs6Na4Hg10]
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 [P4/mbm]
_cell_length_a [13.0822]
_cell_length_b [13.0822]
_cell_length_c [4.7656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Cs3Na2Hg5]
_chemical_formula_sum '[Cs6 Na4 Hg10]'
_cell_volume [815.6052]
_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
[
  Cs  Cs0  4  0.1846  0.6846  0.0000  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  Na  Na2  4  0.1089  0.3911  0.0000  1
  Hg  Hg3  8  0.0576  0.2327  0.5000  1
  Hg  Hg4  2  0.0000  0.5000  0.5000  1
]