data_W2AuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W2AuO4
_chemical_formula_sum   'W4 Au2 O8'
_cell_volume   182.58
_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
  W  W10  1  0.38  0.38  0.63  1.0
  W  W11  1  0.63  0.38  0.38  1.0
  W  W12  1  0.38  0.63  0.38  1.0
  W  W13  1  0.63  0.63  0.63  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.25  0.25  0.25  1.0
  O  O2  1  0.56  0.45  0.45  1.0
  O  O3  1  0.56  0.56  0.56  1.0
  O  O4  1  0.45  0.56  0.45  1.0
  O  O5  1  0.81  0.81  0.7  1.0
  O  O6  1  0.45  0.45  0.56  1.0
  O  O7  1  0.81  0.7  0.81  1.0
  O  O8  1  0.7  0.7  0.7  1.0
  O  O9  1  0.7  0.81  0.81  1.0

data_W2AuO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   15.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   W2AuO4
_chemical_formula_sum   'W12 Au6 O24'
_cell_volume   547.73
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  W  W0  9  0.08  0.17  0.54  1.0
  W  W1  3  0.0  0.0  0.37  1.0
  Au  Au2  3  0.0  0.0  0.0  1.0
  Au  Au3  3  0.0  0.0  0.75  1.0
  O  O4  9  0.04  0.07  0.52  1.0
  O  O5  9  0.07  0.04  0.23  1.0
  O  O6  3  0.0  0.0  0.3  1.0
  O  O7  3  0.0  0.0  0.44  1.0

W W W W Au Au O O O O O O O O
W W W W Au Au O O O O O O O O 0 10 o o o 0 4 o o + 0 5 o o + 0 5 o o o 1 6 o o o 1 4 + o o 1 5 + o o 1 5 o o o 2 8 o o o 2 4 o + o 2 5 o + o 2 5 o o o 3 7 o o o 3 12 o o o 3 4 + + o 3 4 + o + 3 4 o + + 3 5 + o o 3 5 o + o 3 5 o o + 4 8 - - o 4 8 o - - 4 8 o - o 4 6 - - o 4 6 - o - 4 6 - o o 4 13 - - - 4 13 - - o 4 13 - o - 4 13 o - - 4 11 - - - 4 11 - - o 4 11 o - - 4 11 - o - 4 9 - - - 4 9 - - o 4 9 o - - 4 9 - o - 4 12 - - o 4 12 - o - 4 12 o - - 4 7 - - o 4 7 - o - 4 7 o - - 4 10 - o - 4 10 o - - 4 10 o o - 4 5 - o o 4 5 o - o 4 5 o o - 4 5 o o o 5 8 o - o 5 8 - o o 5 8 o o - 5 8 o o o 5 10 o - o 5 10 - o o 5 10 o o - 5 10 o o o 5 9 - - o 5 6 - o o 5 6 o - o 5 6 o o - 5 6 o o o 5 11 - o - 5 12 - o o 5 12 o - o 5 12 o o - 5 7 - o o 5 7 o - o 5 7 o o - 5 13 o - - 6 10 o o o 6 8 o o o 6 7 o o o 7 10 o o o 7 8 o o o 8 10 o o o 9 11 o o o 9 13 o o o 9 12 o o o 11 13 o o o 11 12 o o o 12 13 o o o 