data_HgSb2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSb2Ru
_chemical_formula_sum   'Hg1 Sb2 Ru1'
_cell_volume   85.81
_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  0.47  0.47  0.0  1.0
  Sb  Sb2  1  0.0  0.47  0.76  1.0
  Sb  Sb3  1  0.47  0.0  0.76  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_HgSb2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgSb2Ru
_chemical_formula_sum   'Hg2 Sb4 Ru2'
_cell_volume   171.62
_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  0.47  0.0  -0.0  1.0
  Sb  Sb1  4  0.23  0.23  0.76  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0

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