data_Cu(WO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu(WO2)2
_chemical_formula_sum   'Cu2 W4 O8'
_cell_volume   154.9
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.13  0.13  0.13  1.0
  W  W10  1  0.2  0.2  0.33  1.0
  W  W11  1  0.33  0.2  0.2  1.0
  W  W12  1  0.2  0.33  0.2  1.0
  W  W13  1  0.33  0.33  0.33  1.0
  O  O2  1  0.23  0.3  0.3  1.0
  O  O3  1  0.23  0.23  0.23  1.0
  O  O4  1  0.3  0.23  0.3  1.0
  O  O5  1  0.36  0.36  0.43  1.0
  O  O6  1  0.3  0.3  0.23  1.0
  O  O7  1  0.36  0.43  0.36  1.0
  O  O8  1  0.43  0.36  0.36  1.0
  O  O9  1  0.43  0.43  0.43  1.0

data_Cu(WO2)2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   14.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cu(WO2)2
_chemical_formula_sum   'Cu6 W12 O24'
_cell_volume   464.71
_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
  Cu  Cu0  3  0.0  0.0  0.0  1.0
  Cu  Cu1  3  0.0  0.0  0.87  1.0
  W  W2  9  0.04  0.09  0.76  1.0
  W  W3  3  0.0  0.0  0.67  1.0
  O  O4  9  0.02  0.05  0.62  1.0
  O  O5  9  0.05  0.02  0.73  1.0
  O  O6  3  0.0  0.0  0.57  1.0
  O  O7  3  0.0  0.0  0.77  1.0

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