data_[Na4Au4Br14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2619]
_cell_length_b [16.2795]
_cell_length_c [7.8585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7347]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2Au2Br7]
_chemical_formula_sum '[Na4 Au4 Br14]'
_cell_volume [790.1369]
_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
[
  Na  Na0  4  0.2596  0.1319  0.5312  1
  Au  Au1  4  0.0150  0.5964  0.6487  1
  Br  Br2  4  0.2688  0.1969  0.8915  1
  Br  Br3  4  0.2790  0.0092  0.1502  1
  Br  Br4  4  0.3159  0.6885  0.8913  1
  Br  Br5  2  0.0000  0.0000  0.5000  1
]