data_AgHgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.22
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   93.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHgW2
_chemical_formula_sum   'Ag1 Hg1 W2'
_cell_volume   71.2
_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
  Ag  Ag0  1  0.59  0.0  0.99  1.0
  Hg  Hg1  1  0.17  0.11  0.45  1.0
  W  W2  1  0.22  0.0  0.15  1.0
  W  W3  1  0.16  0.11  0.39  1.0

data_AgHgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.22
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   93.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHgW2
_chemical_formula_sum   'Ag1 Hg1 W2'
_cell_volume   71.2
_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
  Ag  Ag0  1  0.59  0.0  0.99  1.0
  Hg  Hg1  1  0.17  0.11  0.45  1.0
  W  W2  1  0.16  0.11  0.39  1.0
  W  W3  1  0.22  0.0  0.15  1.0

Ag Hg W W
Ag Hg W W 0 2 o o + 1 3 o o o 2 3 o o o 