data_Hg2PtCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   4.22
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PtCl
_chemical_formula_sum   'Hg2 Pt1 Cl1'
_cell_volume   104.16
_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  0.73  0.11  0.95  1.0
  Hg  Hg2  1  0.0  0.0  0.61  1.0
  Pt  Pt3  1  0.73  0.11  0.47  1.0
  Cl  Cl0  1  0.0  0.0  0.85  1.0

data_Hg2PtCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.22
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PtCl
_chemical_formula_sum   'Hg2 Pt1 Cl1'
_cell_volume   104.16
_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  0.61  1.0
  Hg  Hg1  1  0.73  0.11  0.95  1.0
  Pt  Pt2  1  0.73  0.11  0.47  1.0
  Cl  Cl3  1  0.0  0.0  0.85  1.0

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