data_[As4Au4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  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 [13.2499]
_cell_length_b [3.6916]
_cell_length_c [8.2694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AsAuBr]
_chemical_formula_sum '[As4 Au4 Br4]'
_cell_volume [368.9087]
_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
[
  As  As0  4  0.0299  0.0000  0.6624  1.0
  Au  Au1  4  0.1685  0.5000  0.7108  1.0
  Br  Br2  4  0.1779  0.5000  0.2147  1.0
]