data_[As4Pb12Au2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7874]
_cell_length_b [12.8684]
_cell_length_c [7.9846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [As2Pb6AuBr3]
_chemical_formula_sum '[As4 Pb12 Au2 Br6]'
_cell_volume [758.1602]
_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
[
  As  As0  4  0.0000  0.3289  0.0000  1.0
  Pb  Pb1  8  0.2496  0.3366  0.7896  1.0
  Pb  Pb2  4  0.2352  0.5000  0.1949  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.1721  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]