data_AlHg2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.13
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2W
_chemical_formula_sum   'Al1 Hg2 W1'
_cell_volume   77.38
_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
  Al  Al0  1  0.0  0.0  0.51  1.0
  Hg  Hg1  1  0.45  0.07  0.43  1.0
  Hg  Hg2  1  0.0  0.0  0.75  1.0
  W  W3  1  0.45  0.07  0.5  1.0

data_AlHg2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.13
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2W
_chemical_formula_sum   'Al1 Hg2 W1'
_cell_volume   77.38
_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
  Al  Al0  1  0.0  0.0  0.51  1.0
  Hg  Hg1  1  0.0  0.0  0.75  1.0
  Hg  Hg2  1  0.45  0.07  0.43  1.0
  W  W3  1  0.45  0.07  0.5  1.0

Al Hg Hg W
Al Hg Hg W 0 3 - o o 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 