data_AlHgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   5.05
_cell_angle_alpha   103.52
_cell_angle_beta   103.52
_cell_angle_gamma   35.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHgIr2
_chemical_formula_sum   'Al1 Hg1 Ir2'
_cell_volume   64.61
_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
  Hg  Hg1  1  0.92  0.0  0.45  1.0
  Ir  Ir2  1  0.33  0.0  0.04  1.0
  Ir  Ir3  1  0.52  0.0  0.85  1.0

data_AlHgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.77
_cell_length_c   5.05
_cell_angle_alpha   103.52
_cell_angle_beta   90.0
_cell_angle_gamma   107.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHgIr2
_chemical_formula_sum   'Al1 Hg1 Ir2'
_cell_volume   64.61
_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
  Hg  Hg1  1  0.0  0.08  0.55  1.0
  Ir  Ir2  1  0.0  0.48  0.15  1.0
  Ir  Ir3  1  0.0  0.67  0.96  1.0

Al Hg Ir Ir