data_[Na4Cu8Hg4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5474]
_cell_length_b [13.0432]
_cell_length_c [7.0518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaCu2HgBr6]
_chemical_formula_sum '[Na4 Cu8 Hg4 Br24]'
_cell_volume [1207.9746]
_cell_formula_units_Z [4]
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  4  0.0000  0.0914  0.2500  1.0
  Cu  Cu1  8  0.1930  0.4273  0.2759  1.0
  Hg  Hg2  4  0.0000  0.2665  0.7500  1.0
  Br  Br3  8  0.1191  0.2679  0.1026  1.0
  Br  Br4  8  0.1224  0.0876  0.6505  1.0
  Br  Br5  8  0.1423  0.4219  0.5813  1.0
]