data_MnZn2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   122.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2WO6
_chemical_formula_sum   'Mn2 Zn4 W2 O12'
_cell_volume   225.49
_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
  Mn  Mn0  1  0.44  0.66  0.99  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.23  0.52  0.05  1.0
  Zn  Zn3  1  0.42  0.18  0.91  1.0
  Zn  Zn4  1  0.98  0.8  0.93  1.0
  Zn  Zn5  1  0.78  0.14  0.06  1.0
  W  W6  1  0.66  0.66  0.0  1.0
  W  W7  1  0.1  0.0  0.99  1.0
  O  O8  1  0.3  0.01  0.3  1.0
  O  O9  1  0.35  0.67  0.66  1.0
  O  O10  1  0.91  0.31  0.68  1.0
  O  O11  1  0.85  0.65  0.31  1.0
  O  O12  1  0.99  0.8  0.44  1.0
  O  O13  1  0.78  0.46  0.54  1.0
  O  O14  1  0.22  0.52  0.53  1.0
  O  O15  1  0.43  0.86  0.43  1.0
  O  O16  1  0.79  0.52  0.8  1.0
  O  O17  1  0.86  0.18  0.15  1.0
  O  O18  1  0.35  0.13  0.82  1.0
  O  O19  1  0.42  0.79  0.17  1.0

data_MnZn2WO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   7.97
_cell_angle_alpha   91.48
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2WO6
_chemical_formula_sum   'Mn2 Zn4 W2 O12'
_cell_volume   225.49
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.66  0.54  0.99  1.0
  Zn  Zn2  1  0.14  0.28  0.06  1.0
  Zn  Zn3  1  0.18  0.49  0.91  1.0
  Zn  Zn4  1  0.52  0.82  0.05  1.0
  Zn  Zn5  1  0.8  0.95  0.93  1.0
  W  W6  1  0.0  0.88  0.99  1.0
  W  W7  1  0.66  0.34  -0.0  1.0
  O  O8  1  0.01  0.0  0.3  1.0
  O  O9  1  0.13  0.47  0.82  1.0
  O  O10  1  0.18  0.29  0.15  1.0
  O  O11  1  0.31  0.76  0.68  1.0
  O  O12  1  0.46  0.77  0.54  1.0
  O  O13  1  0.52  0.31  0.53  1.0
  O  O14  1  0.52  0.02  0.8  1.0
  O  O15  1  0.65  0.46  0.31  1.0
  O  O16  1  0.67  0.31  0.66  1.0
  O  O17  1  0.79  0.75  0.17  1.0
  O  O18  1  0.8  0.46  0.44  1.0
  O  O19  1  0.86  0.0  0.43  1.0

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