data_Hg2AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2AsPt
_chemical_formula_sum   'Hg2 As1 Pt1'
_cell_volume   78.58
_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  0.48  0.18  0.52  1.0
  Hg  Hg2  1  0.48  0.82  0.52  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.96  0.0  0.0  1.0

data_Hg2AsPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   111.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2AsPt
_chemical_formula_sum   'Hg2 As1 Pt1'
_cell_volume   78.58
_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  0.52  0.48  0.18  1.0
  Hg  Hg1  1  0.52  0.48  0.82  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.96  0.0  1.0

Hg Hg As Pt
Hg Hg As Pt 0 1 o - o 2 3 - o o 