data_AgHg2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.04
_cell_length_b   10.04
_cell_length_c   10.04
_cell_angle_alpha   17.44
_cell_angle_beta   17.44
_cell_angle_gamma   17.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHg2Pt
_chemical_formula_sum   'Ag1 Hg2 Pt1'
_cell_volume   79.4
_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
  Ag  Ag0  1  0.0  0.0  0.26  1.0
  Hg  Hg1  1  0.0  0.0  0.52  1.0
  Hg  Hg2  1  0.0  0.0  0.47  1.0
  Pt  Pt3  1  0.0  0.0  0.92  1.0

data_AgHg2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   3.04
_cell_length_c   10.04
_cell_angle_alpha   90.0
_cell_angle_beta   100.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgHg2Pt
_chemical_formula_sum   'Ag2 Hg4 Pt2'
_cell_volume   158.8
_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
  Ag  Ag0  2  -0.0  0.0  0.74  1.0
  Hg  Hg1  2  -0.0  0.0  0.53  1.0
  Hg  Hg2  2  -0.0  0.0  0.48  1.0
  Pt  Pt3  2  -0.0  0.0  0.08  1.0

Ag Hg Hg Pt
Ag Hg Hg Pt 0 2 o o o 0 3 o o - 1 2 o o o 3 3 o + - 3 3 + - o 3 3 + o - 