data_Hg3W5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41
_cell_length_b   8.41
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3W5
_chemical_formula_sum   'Hg6 W10'
_cell_volume   299.03
_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  0.32  0.9  0.66  1.0
  Hg  Hg1  1  0.47  0.38  0.22  1.0
  Hg  Hg2  1  0.35  0.0  0.66  1.0
  Hg  Hg3  1  0.68  0.9  0.22  1.0
  Hg  Hg4  1  0.05  0.0  0.22  1.0
  Hg  Hg5  1  0.53  0.38  0.66  1.0
  W  W6  1  0.24  0.32  0.22  1.0
  W  W7  1  0.56  0.96  0.66  1.0
  W  W8  1  0.53  0.0  0.22  1.0
  W  W9  1  0.76  0.32  0.66  1.0
  W  W10  1  0.0  0.85  0.0  1.0
  W  W11  1  0.0  0.85  0.44  1.0
  W  W12  1  0.2  0.43  0.0  1.0
  W  W13  1  0.2  0.43  0.44  1.0
  W  W14  1  0.88  0.0  0.66  1.0
  W  W15  1  0.44  0.96  0.22  1.0

data_Hg3W5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.88
_cell_length_b   8.41
_cell_length_c   8.41
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3W5
_chemical_formula_sum   'Hg6 W10'
_cell_volume   299.03
_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  0.22  0.05  0.0  1.0
  Hg  Hg1  1  0.22  0.47  0.38  1.0
  Hg  Hg2  1  0.22  0.68  0.9  1.0
  Hg  Hg3  1  0.66  0.32  0.9  1.0
  Hg  Hg4  1  0.66  0.35  0.0  1.0
  Hg  Hg5  1  0.66  0.53  0.38  1.0
  W  W6  1  0.0  -0.0  0.85  1.0
  W  W7  1  0.0  0.2  0.43  1.0
  W  W8  1  0.22  0.24  0.32  1.0
  W  W9  1  0.22  0.44  0.96  1.0
  W  W10  1  0.22  0.53  0.0  1.0
  W  W11  1  0.44  -0.0  0.85  1.0
  W  W12  1  0.44  0.2  0.43  1.0
  W  W13  1  0.66  0.56  0.96  1.0
  W  W14  1  0.66  0.76  0.32  1.0
  W  W15  1  0.66  0.88  0.0  1.0

Hg Hg Hg Hg Hg Hg W W W W W W W W W W