data_ZnCu3(WO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   6.68
_cell_angle_alpha   109.58
_cell_angle_beta   109.45
_cell_angle_gamma   109.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu3(WO3)4
_chemical_formula_sum   'Zn1 Cu3 W4 O12'
_cell_volume   229.61
_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
  Zn  Zn0  1  0.8  0.59  0.73  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.22  0.43  0.73  1.0
  Cu  Cu3  1  0.25  0.15  0.0  1.0
  W  W4  1  0.91  0.15  0.0  1.0
  W  W5  1  0.33  0.0  0.0  1.0
  W  W6  1  0.89  0.43  0.73  1.0
  W  W7  1  0.14  0.59  0.73  1.0
  O  O8  1  0.96  0.96  0.68  1.0
  O  O9  1  0.32  0.21  0.78  1.0
  O  O10  1  0.95  0.15  0.81  1.0
  O  O11  1  0.34  0.63  0.43  1.0
  O  O12  1  0.34  0.11  0.09  1.0
  O  O13  1  0.93  0.96  0.1  1.0
  O  O14  1  0.97  0.79  0.15  1.0
  O  O15  1  0.93  0.07  0.37  1.0
  O  O16  1  0.32  0.02  0.65  1.0
  O  O17  1  0.94  0.54  0.03  1.0
  O  O18  1  0.34  0.21  0.36  1.0
  O  O19  1  0.31  0.38  0.31  1.0

data_ZnCu3(WO3)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   6.68
_cell_angle_alpha   109.58
_cell_angle_beta   109.45
_cell_angle_gamma   109.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu3(WO3)4
_chemical_formula_sum   'Zn1 Cu3 W4 O12'
_cell_volume   229.61
_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
  Zn  Zn0  1  0.8  0.59  0.73  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.22  0.43  0.73  1.0
  Cu  Cu3  1  0.25  0.15  0.0  1.0
  W  W4  1  0.14  0.59  0.73  1.0
  W  W5  1  0.33  0.0  0.0  1.0
  W  W6  1  0.89  0.43  0.73  1.0
  W  W7  1  0.91  0.15  0.0  1.0
  O  O8  1  0.31  0.38  0.31  1.0
  O  O9  1  0.32  0.21  0.78  1.0
  O  O10  1  0.32  0.02  0.65  1.0
  O  O11  1  0.34  0.63  0.43  1.0
  O  O12  1  0.34  0.21  0.36  1.0
  O  O13  1  0.34  0.11  0.09  1.0
  O  O14  1  0.93  0.07  0.37  1.0
  O  O15  1  0.93  0.96  0.1  1.0
  O  O16  1  0.94  0.54  0.03  1.0
  O  O17  1  0.95  0.15  0.81  1.0
  O  O18  1  0.96  0.96  0.68  1.0
  O  O19  1  0.97  0.79  0.15  1.0

Zn Cu Cu Cu W W W W O O O O O O O O O O O O
Zn Cu Cu Cu W W W W O O O O O O O O O O O O 0 6 o o o 1 13 - - o 1 4 - o o 2 7 o o o 3 12 o o o 4 10 o o - 5 12 o o o 6 17 o o + 8 10 o + o 9 16 o o o 11 19 o o o 13 14 o o o 13 15 o + o 14 17 o o o 14 15 o + o 18 19 o o o 