data_[Na8Cu4Hg4Br20]
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 [Cmc2_1]
_cell_length_a [4.1391]
_cell_length_b [17.8831]
_cell_length_c [13.7605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2CuHgBr5]
_chemical_formula_sum '[Na8 Cu4 Hg4 Br20]'
_cell_volume [1018.5563]
_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  0.0824  0.6556  1
  Na  Na1  4  0.0000  0.1260  0.3339  1
  Cu  Cu2  4  0.0000  0.4419  0.4212  1
  Hg  Hg3  4  0.0000  0.2184  0.0402  1
  Br  Br4  4  0.0000  0.0567  0.0202  1
  Br  Br5  4  0.0000  0.2733  0.6840  1
  Br  Br6  4  0.0000  0.2982  0.3941  1
  Br  Br7  4  0.0000  0.3731  0.0066  1
  Br  Br8  4  0.0000  0.4942  0.7681  1
]