data_AlCu2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.84
_cell_angle_alpha   101.2
_cell_angle_beta   101.2
_cell_angle_gamma   38.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Hg
_chemical_formula_sum   'Al1 Cu2 Hg1'
_cell_volume   61.86
_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
  Cu  Cu1  1  0.18  0.0  0.03  1.0
  Cu  Cu2  1  0.46  0.0  0.71  1.0
  Hg  Hg3  1  0.82  0.0  0.37  1.0

data_AlCu2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.58
_cell_length_c   4.84
_cell_angle_alpha   101.2
_cell_angle_beta   90.0
_cell_angle_gamma   109.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Hg
_chemical_formula_sum   'Al1 Cu2 Hg1'
_cell_volume   61.86
_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
  Cu  Cu1  1  0.0  0.54  0.29  1.0
  Cu  Cu2  1  0.0  0.82  0.97  1.0
  Hg  Hg3  1  0.0  0.18  0.63  1.0

Al Cu Cu Hg