data_Hg2PPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   144.42
_cell_angle_beta   126.43
_cell_angle_gamma   65.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PPt
_chemical_formula_sum   'Hg2 P1 Pt1'
_cell_volume   76.26
_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  Hg0  1  0.68  0.0  0.28  1.0
  Hg  Hg1  1  0.0  0.47  0.32  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.6  1.0

data_Hg2PPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.94
_cell_length_c   5.49
_cell_angle_alpha   116.79
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PPt
_chemical_formula_sum   'Hg2 P1 Pt1'
_cell_volume   76.26
_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  Hg0  1  0.4  0.72  0.4  1.0
  Hg  Hg1  1  0.68  0.15  0.15  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.4  0.4  0.4  1.0

Hg Hg P Pt