data_HgPtCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPtCl
_chemical_formula_sum   'Hg1 Pt1 Cl1'
_cell_volume   59.21
_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  0.31  0.34  0.24  1.0
  Pt  Pt2  1  0.0  0.67  0.38  1.0
  Cl  Cl0  1  0.0  0.0  0.77  1.0

data_HgPtCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPtCl
_chemical_formula_sum   'Hg1 Pt1 Cl1'
_cell_volume   59.21
_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  0.24  0.31  0.34  1.0
  Pt  Pt1  1  0.38  -0.0  0.67  1.0
  Cl  Cl2  1  0.77  0.0  0.0  1.0

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