data_AlNiHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   4.69
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   94.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNiHg2
_chemical_formula_sum   'Al1 Ni1 Hg2'
_cell_volume   74.76
_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  0.0  1.0
  Ni  Ni3  1  0.42  0.0  0.48  1.0
  Hg  Hg1  1  0.16  0.35  0.67  1.0
  Hg  Hg2  1  0.67  0.35  0.28  1.0

data_AlNiHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.69
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   94.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNiHg2
_chemical_formula_sum   'Al1 Ni1 Hg2'
_cell_volume   74.76
_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  0.0  1.0
  Ni  Ni1  1  0.42  0.0  0.48  1.0
  Hg  Hg2  1  0.16  0.35  0.67  1.0
  Hg  Hg3  1  0.67  0.35  0.28  1.0

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