data_WO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   6.6
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WO3
_chemical_formula_sum   'W4 O12'
_cell_volume   220.88
_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
  W  W0  1  0.1  0.9  0.9  1.0
  W  W1  1  0.9  0.1  0.9  1.0
  W  W2  1  0.9  0.9  0.9  1.0
  W  W3  1  0.9  0.9  0.1  1.0
  O  O4  1  0.0  0.66  0.5  1.0
  O  O5  1  0.14  0.31  0.81  1.0
  O  O6  1  0.0  0.66  0.12  1.0
  O  O7  1  0.31  0.81  0.14  1.0
  O  O8  1  0.14  0.69  0.81  1.0
  O  O9  1  0.12  0.0  0.66  1.0
  O  O10  1  0.69  0.81  0.14  1.0
  O  O11  1  0.66  0.12  0.0  1.0
  O  O12  1  0.5  0.0  0.66  1.0
  O  O13  1  0.81  0.14  0.69  1.0
  O  O14  1  0.66  0.5  0.0  1.0
  O  O15  1  0.81  0.14  0.31  1.0

data_WO3
_symmetry_space_group_name_H-M   R3
_cell_length_a   10.77
_cell_length_b   10.77
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   WO3
_chemical_formula_sum   'W12 O36'
_cell_volume   662.63
_cell_formula_units_Z   12
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  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  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'
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  0.13  0.06  0.97  1.0
  W  W1  3  0.0  0.0  0.9  1.0
  O  O2  9  0.05  0.44  0.75  1.0
  O  O3  9  0.07  0.59  0.59  1.0
  O  O4  9  0.11  0.72  0.39  1.0
  O  O5  9  0.14  0.4  0.55  1.0

W W W W O O O O O O O O O O O O
W W W W O O O O O O O O O O O O 0 2 - o o 0 8 o o o 0 7 o o + 0 9 o + o 1 13 o o o 1 2 o - o 1 5 + o o 1 11 o o + 2 3 o o + 3 10 o o o 3 6 + o o 3 15 o + o 4 9 o + o 4 8 o o o 5 13 - o o 5 9 o o o 6 14 - o o 6 7 o o o 7 8 o o - 10 15 o + o 10 14 o o o 11 12 o o - 11 15 o o o 12 13 o o o 