data_Hg2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   135.57
_cell_angle_beta   135.57
_cell_angle_gamma   64.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PtAu
_chemical_formula_sum   'Hg2 Pt1 Au1'
_cell_volume   76.92
_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  0.58  1.0
  Hg  Hg2  1  0.0  0.05  0.29  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.05  0.0  0.29  1.0

data_Hg2PtAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.42
_cell_angle_alpha   112.22
_cell_angle_beta   112.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PtAu
_chemical_formula_sum   'Hg2 Pt1 Au1'
_cell_volume   76.92
_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  0.29  0.24  1.0
  Hg  Hg1  1  0.58  0.58  0.58  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.29  0.24  0.24  1.0

Hg Hg Pt Au
Hg Hg Pt Au 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 