data_Al2HgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   126.4
_cell_angle_beta   126.4
_cell_angle_gamma   79.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2HgPt
_chemical_formula_sum   'Al2 Hg1 Pt1'
_cell_volume   67.71
_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  0.15  0.0  0.83  1.0
  Al  Al1  1  0.0  0.15  0.83  1.0
  Hg  Hg2  1  0.0  0.0  0.67  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

data_Al2HgPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   129.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2HgPt
_chemical_formula_sum   'Al4 Hg2 Pt2'
_cell_volume   135.42
_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  4  0.43  0.43  0.69  1.0
  Hg  Hg1  2  0.0  0.0  0.67  1.0
  Pt  Pt2  2  0.0  0.0  0.0  1.0

Al Al Hg Pt
Al Al Hg Pt 0 2 o o o 0 3 o o + 1 2 o o o 1 3 o o + 2 3 o o + 