data_Hg2GeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   5.17
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2GeRu
_chemical_formula_sum   'Hg2 Ge1 Ru1'
_cell_volume   77.65
_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  0.09  0.59  0.7  1.0
  Hg  Hg2  1  0.88  0.59  0.29  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.98  0.0  0.5  1.0

data_Hg2GeRu
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.01
_cell_length_b   5.17
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Hg2GeRu
_chemical_formula_sum   'Hg2 Ge1 Ru1'
_cell_volume   77.65
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.09  0.59  0.7  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.5  1.0

Hg Hg Ge Ru