data_HgGe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   3.31
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe2Pt
_chemical_formula_sum   'Hg1 Ge2 Pt1'
_cell_volume   77.09
_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  Hg2  1  0.47  0.65  0.1  1.0
  Ge  Ge0  1  0.47  0.65  0.65  1.0
  Ge  Ge1  1  0.0  0.0  0.8  1.0
  Pt  Pt3  1  0.0  0.0  0.23  1.0

data_HgGe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.31
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe2Pt
_chemical_formula_sum   'Hg1 Ge2 Pt1'
_cell_volume   77.09
_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  0.47  0.65  0.1  1.0
  Ge  Ge1  1  0.0  0.0  0.8  1.0
  Ge  Ge2  1  0.47  0.65  0.65  1.0
  Pt  Pt3  1  0.0  0.0  0.23  1.0

Hg Ge Ge Pt
Hg Ge Ge Pt 0 3 o + o 0 3 + + o 1 2 o + o 1 2 + + o 