data_Hg2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88
_cell_length_b   9.88
_cell_length_c   9.88
_cell_angle_alpha   19.22
_cell_angle_beta   19.22
_cell_angle_gamma   19.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2RuPb
_chemical_formula_sum   'Hg2 Ru1 Pb1'
_cell_volume   91.31
_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  0.0  0.0  0.29  1.0
  Hg  Hg1  1  0.0  0.0  0.37  1.0
  Ru  Ru3  1  0.0  0.0  0.8  1.0
  Pb  Pb2  1  0.0  0.0  0.16  1.0

data_Hg2RuPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.71
_cell_length_b   3.3
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   101.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg2RuPb
_chemical_formula_sum   'Hg4 Ru2 Pb2'
_cell_volume   182.62
_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
  Hg  Hg0  2  0.0  0.0  0.63  1.0
  Hg  Hg1  2  0.0  0.0  0.71  1.0
  Ru  Ru2  2  0.0  0.0  0.2  1.0
  Pb  Pb3  2  0.0  0.0  0.84  1.0

Hg Hg Ru Pb
Hg Hg Ru Pb 0 1 o o o 0 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o + 