data_Hg5W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   8.35
_cell_length_c   8.35
_cell_angle_alpha   20.95
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg5W
_chemical_formula_sum   'Hg5 W1'
_cell_volume   129.15
_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
  Hg  Hg0  1  0.59  0.0  0.09  1.0
  Hg  Hg1  1  0.59  0.0  0.52  1.0
  Hg  Hg2  1  0.59  0.0  0.82  1.0
  Hg  Hg3  1  0.0  0.0  0.45  1.0
  Hg  Hg4  1  0.0  0.0  0.6  1.0
  W  W5  1  0.0  0.0  0.82  1.0

data_Hg5W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.19
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   100.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg5W
_chemical_formula_sum   'Hg5 W1'
_cell_volume   129.15
_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
  Hg  Hg0  1  0.18  0.59  0.18  1.0
  Hg  Hg1  1  0.4  0.0  0.4  1.0
  Hg  Hg2  1  0.48  0.59  0.48  1.0
  Hg  Hg3  1  0.55  0.0  0.55  1.0
  Hg  Hg4  1  0.91  0.59  0.91  1.0
  W  W5  1  0.18  0.0  0.18  1.0

Hg Hg Hg Hg Hg W
Hg Hg Hg Hg Hg W 0 2 o o - 1 3 + o o 1 4 + o o 1 2 o o o 2 5 + o o 3 4 o o o 4 5 o o o 