data_Hg2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   5.05
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   97.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2GePb
_chemical_formula_sum   'Hg2 Ge1 Pb1'
_cell_volume   103.01
_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  0.67  0.52  0.39  1.0
  Hg  Hg2  1  0.99  0.52  0.5  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.33  0.0  0.94  1.0

data_Hg2GePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.05
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   97.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2GePb
_chemical_formula_sum   'Hg2 Ge1 Pb1'
_cell_volume   103.01
_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  0.67  0.52  0.39  1.0
  Hg  Hg1  1  0.99  0.52  0.5  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.33  0.0  0.94  1.0

Hg Hg Ge Pb
Hg Hg Ge Pb 0 1 o o o 2 3 o o - 