data_LiHg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45
_cell_length_b   9.45
_cell_length_c   9.45
_cell_angle_alpha   18.32
_cell_angle_beta   18.32
_cell_angle_gamma   18.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHg2Ru
_chemical_formula_sum   'Li1 Hg2 Ru1'
_cell_volume   72.86
_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  Li2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.88  1.0
  Hg  Hg1  1  0.0  0.0  0.98  1.0
  Ru  Ru3  1  0.0  0.0  0.93  1.0

data_LiHg2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   3.01
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   100.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHg2Ru
_chemical_formula_sum   'Li2 Hg4 Ru2'
_cell_volume   145.73
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.12  1.0
  Hg  Hg2  2  0.0  0.0  0.02  1.0
  Ru  Ru3  2  0.0  0.0  0.07  1.0

Li Hg Hg Ru