data_[Cs2Na2Hg2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3049]
_cell_length_b [7.9734]
_cell_length_c [9.8827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNaHgBr4]
_chemical_formula_sum '[Cs2 Na2 Hg2 Br8]'
_cell_volume [557.4555]
_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  2  0.2259  0.2500  0.0502  1.0
  Na  Na1  2  0.1380  0.2500  0.5126  1.0
  Hg  Hg2  2  0.2549  0.7500  0.3206  1.0
  Br  Br3  4  0.0203  0.0039  0.7092  1.0
  Br  Br4  2  0.3313  0.7500  0.0735  1.0
  Br  Br5  2  0.4986  0.7500  0.5614  1.0
]