data_HgSbPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   31.06
_cell_angle_beta   31.06
_cell_angle_gamma   31.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSbPt2
_chemical_formula_sum   'Hg1 Sb1 Pt2'
_cell_volume   89.84
_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
  Hg  Hg0  1  0.0  0.0  0.26  1.0
  Sb  Sb3  1  0.0  0.0  0.75  1.0
  Pt  Pt1  1  0.0  0.0  0.44  1.0
  Pt  Pt2  1  0.0  0.0  0.24  1.0

data_HgSbPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.72
_cell_length_b   3.88
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   108.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgSbPt2
_chemical_formula_sum   'Hg2 Sb2 Pt4'
_cell_volume   179.68
_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
  Hg  Hg0  2  0.0  0.0  0.74  1.0
  Sb  Sb1  2  0.0  0.0  0.25  1.0
  Pt  Pt2  2  0.0  0.0  0.56  1.0
  Pt  Pt3  2  0.0  0.0  0.76  1.0

Hg Sb Pt Pt
Hg Sb Pt Pt 0 3 o o o 0 2 o o o 1 2 o o o 2 3 o o o 