data_ZnWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   21.65
_cell_angle_alpha   90.0
_cell_angle_beta   83.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnWO4
_chemical_formula_sum   'Zn1 W1 O4'
_cell_volume   448.8
_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  0.96  0.5  0.04  1.0
  W  W1  1  0.46  1.0  0.04  1.0
  O  O2  1  0.72  0.77  0.99  1.0
  O  O3  1  0.67  0.23  0.08  1.0
  O  O4  1  0.2  0.77  0.08  1.0
  O  O5  1  0.26  0.23  0.99  1.0

Zn W O O O O 0 3 o o o 0 2 o o - 0 5 + o - 0 4 + o o 1 4 o o o 1 5 o + - 1 2 o o - 1 3 o + o 
data_ZnWO4
_symmetry_space_group_name_H-M   C222
_cell_length_a   4.57
_cell_length_b   42.98
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   21
_chemical_formula_structural   ZnWO4
_chemical_formula_sum   'Zn2 W2 O8'
_cell_volume   897.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  'x, -y, -z'
  4  '-x, y, -z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  'x+1/2, -y+1/2, -z'
  8  '-x+1/2, y+1/2, -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  2  0.0  0.5  0.5  1.0
  W  W1  2  0.0  0.0  0.0  1.0
  O  O2  8  0.24  0.02  0.77  1.0
