data_LaAlHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   3.24
_cell_angle_alpha   102.66
_cell_angle_beta   102.66
_cell_angle_gamma   117.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlHg2
_chemical_formula_sum   'La1 Al1 Hg2'
_cell_volume   104.3
_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
  La  La3  1  0.28  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.96  0.71  0.47  1.0
  Hg  Hg2  1  0.96  0.29  0.47  1.0

data_LaAlHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.97
_cell_length_c   6.33
_cell_angle_alpha   116.85
_cell_angle_beta   102.66
_cell_angle_gamma   94.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlHg2
_chemical_formula_sum   'La1 Al1 Hg2'
_cell_volume   104.3
_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
  La  La0  1  0.0  0.0  0.28  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.17  0.71  0.67  1.0
  Hg  Hg3  1  0.76  0.29  0.25  1.0

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