data_As5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As5Au3
_chemical_formula_sum   'As5 Au3'
_cell_volume   153.05
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  As  As1  1  0.83  0.36  0.0  1.0
  As  As2  1  0.83  0.64  0.0  1.0
  As  As3  1  0.78  0.0  0.21  1.0
  As  As4  1  0.53  0.0  0.21  1.0
  Au  Au5  1  0.66  0.0  0.0  1.0
  Au  Au6  1  0.66  0.88  0.21  1.0
  Au  Au7  1  0.66  0.12  0.21  1.0

data_As5Au3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   104.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As5Au3
_chemical_formula_sum   'As5 Au3'
_cell_volume   153.05
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  As  As1  1  0.0  0.83  0.64  1.0
  As  As2  1  0.0  0.83  0.36  1.0
  As  As3  1  0.21  0.53  0.0  1.0
  As  As4  1  0.21  0.78  0.0  1.0
  Au  Au5  1  0.0  0.66  0.0  1.0
  Au  Au6  1  0.21  0.66  0.12  1.0
  Au  Au7  1  0.21  0.66  0.88  1.0

As As As As As Au Au Au