data_AlHg2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.53
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   95.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2W
_chemical_formula_sum   'Al1 Hg2 W1'
_cell_volume   77.78
_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  0.87  0.0  0.03  1.0
  Hg  Hg1  1  0.46  0.27  0.06  1.0
  Hg  Hg2  1  0.78  0.0  0.46  1.0
  W  W3  1  0.3  0.27  0.37  1.0

data_AlHg2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.53
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   95.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2W
_chemical_formula_sum   'Al1 Hg2 W1'
_cell_volume   77.78
_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  0.87  0.0  0.03  1.0
  Hg  Hg1  1  0.46  0.27  0.06  1.0
  Hg  Hg2  1  0.78  0.0  0.46  1.0
  W  W3  1  0.3  0.27  0.37  1.0

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