data_[As2Au14]
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 [Pmmn]
_cell_length_a [2.8885]
_cell_length_b [3.9289]
_cell_length_c [32.6200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [AsAu7]
_chemical_formula_sum '[As2 Au14]'
_cell_volume [370.1946]
_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  2  0.0000  0.0000  0.1446  1
  Au  Au1  2  0.0000  0.0000  0.2341  1
  Au  Au2  2  0.0000  0.0000  0.3308  1
  Au  Au3  2  0.0000  0.0000  0.4276  1
  Au  Au4  2  0.0000  0.0000  0.5242  1
  Au  Au5  2  0.0000  0.0000  0.6206  1
  Au  Au6  2  0.0000  0.0000  0.7173  1
  Au  Au7  2  0.0000  0.0000  0.8193  1
]