data_Hg2AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.0
_cell_length_b   10.0
_cell_length_c   10.0
_cell_angle_alpha   17.72
_cell_angle_beta   17.72
_cell_angle_gamma   17.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2AsPt
_chemical_formula_sum   'Hg2 As1 Pt1'
_cell_volume   80.76
_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  0.18  1.0
  Hg  Hg2  1  0.0  0.0  0.33  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.76  1.0

data_Hg2AsPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   3.08
_cell_length_c   10.0
_cell_angle_alpha   90.0
_cell_angle_beta   100.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg2AsPt
_chemical_formula_sum   'Hg4 As2 Pt2'
_cell_volume   161.52
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.67  1.0
  Hg  Hg1  2  0.0  0.0  0.82  1.0
  As  As2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  -0.0  0.0  0.24  1.0

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