data_LiHgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgRu2
_chemical_formula_sum   'Li1 Hg1 Ru2'
_cell_volume   62.01
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.52  0.0  0.0  1.0
  Ru  Ru2  1  0.26  0.18  0.41  1.0
  Ru  Ru3  1  0.26  0.82  0.41  1.0

data_LiHgRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.03
_cell_length_c   5.04
_cell_angle_alpha   119.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgRu2
_chemical_formula_sum   'Li1 Hg1 Ru2'
_cell_volume   62.01
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  -0.0  0.0  0.52  1.0
  Ru  Ru2  1  0.41  0.18  0.44  1.0
  Ru  Ru3  1  0.41  0.82  0.08  1.0

Li Hg Ru Ru