data_[As12Au8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2017]
_cell_length_b [15.6442]
_cell_length_c [5.0665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [As3Au2]
_chemical_formula_sum '[As12 Au8]'
_cell_volume [459.0504]
_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  8  0.1889  0.3757  0.1924  1
  As  As1  4  0.2086  0.5000  0.5141  1
  Au  Au2  4  0.0000  0.1125  0.0000  1
  Au  Au3  4  0.2500  0.2500  0.5000  1
]