data_HgWO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   46.9
_cell_angle_beta   46.9
_cell_angle_gamma   46.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgWO3
_chemical_formula_sum   'Hg2 W2 O6'
_cell_volume   150.88
_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
  Hg  Hg0  1  0.0  0.0  0.36  1.0
  Hg  Hg1  1  0.0  0.0  0.66  1.0
  W  W8  1  0.0  0.0  0.81  1.0
  W  W9  1  0.0  0.0  0.22  1.0
  O  O2  1  0.92  0.88  0.93  1.0
  O  O3  1  0.91  0.13  0.93  1.0
  O  O4  1  0.17  0.99  0.93  1.0
  O  O5  1  0.83  0.01  0.09  1.0
  O  O6  1  0.09  0.87  0.09  1.0
  O  O7  1  0.08  0.12  0.09  1.0

data_HgWO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   6.77
_cell_angle_alpha   66.55
_cell_angle_beta   66.55
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HgWO3
_chemical_formula_sum   'Hg2 W2 O6'
_cell_volume   150.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Hg  Hg0  2  0.0  0.15  0.35  1.0
  W  W1  2  0.0  0.3  0.2  1.0
  O  O2  2  0.01  0.58  0.08  1.0
  O  O3  2  0.12  0.58  0.72  1.0
  O  O4  2  0.13  0.42  0.04  1.0

Hg Hg W W O O O O O O
Hg Hg W W O O O O O O 0 3 o o o 1 2 o o o 2 4 - - o 3 9 o o o 5 7 o o + 6 8 o o + 