data_Hg2PtCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98
_cell_length_b   7.98
_cell_length_c   7.98
_cell_angle_alpha   26.99
_cell_angle_beta   26.99
_cell_angle_gamma   26.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PtCl
_chemical_formula_sum   'Hg2 Pt1 Cl1'
_cell_volume   92.26
_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  Hg1  1  0.0  0.0  0.45  1.0
  Hg  Hg2  1  0.0  0.0  0.6  1.0
  Pt  Pt3  1  0.0  0.0  0.52  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Hg2PtCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.45
_cell_length_b   3.72
_cell_length_c   7.98
_cell_angle_alpha   90.0
_cell_angle_beta   105.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg2PtCl
_chemical_formula_sum   'Hg4 Pt2 Cl2'
_cell_volume   184.51
_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  0.55  1.0
  Hg  Hg1  2  -0.0  0.0  0.4  1.0
  Pt  Pt2  2  -0.0  0.0  0.48  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

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