data_AlHg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   103.41
_cell_angle_beta   103.41
_cell_angle_gamma   122.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg4
_chemical_formula_sum   'Al1 Hg4'
_cell_volume   122.92
_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  0.57  0.35  0.0  1.0
  Hg  Hg2  1  0.35  0.25  0.0  1.0
  Hg  Hg3  1  0.84  0.05  0.65  1.0
  Hg  Hg4  1  0.05  0.16  0.65  1.0

data_AlHg4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.3
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   76.59
_cell_angle_beta   61.21
_cell_angle_gamma   61.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg4
_chemical_formula_sum   'Al1 Hg4'
_cell_volume   122.92
_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  0.05  0.78  0.35  1.0
  Hg  Hg2  1  0.16  0.89  0.35  1.0
  Hg  Hg3  1  0.25  0.11  -0.0  1.0
  Hg  Hg4  1  0.35  0.22  -0.0  1.0

Al Hg Hg Hg Hg