data_AlReHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   137.32
_cell_angle_beta   137.32
_cell_angle_gamma   61.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlReHg2
_chemical_formula_sum   'Al1 Re1 Hg2'
_cell_volume   72.72
_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
  Re  Re3  1  0.0  0.0  0.66  1.0
  Hg  Hg1  1  0.98  0.0  0.33  1.0
  Hg  Hg2  1  0.0  0.98  0.33  1.0

data_AlReHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   120.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlReHg2
_chemical_formula_sum   'Al2 Re2 Hg4'
_cell_volume   145.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.34  0.0  0.34  1.0
  Hg  Hg2  4  0.16  0.49  0.65  1.0

Al Re Hg Hg