data_NaAl2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.22
_cell_angle_alpha   105.6
_cell_angle_beta   105.6
_cell_angle_gamma   30.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Hg
_chemical_formula_sum   'Na1 Al2 Hg1'
_cell_volume   84.23
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.1  0.0  0.32  1.0
  Al  Al1  1  0.51  0.0  0.69  1.0
  Hg  Hg2  1  0.81  0.0  0.5  1.0

data_NaAl2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.22
_cell_length_c   5.74
_cell_angle_alpha   105.6
_cell_angle_beta   105.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Hg
_chemical_formula_sum   'Na1 Al2 Hg1'
_cell_volume   84.23
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.32  0.1  1.0
  Al  Al2  1  0.0  0.69  0.51  1.0
  Hg  Hg3  1  0.0  0.5  0.81  1.0

Na Al Al Hg