data_ZnHg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   4.71
_cell_angle_alpha   109.49
_cell_angle_beta   109.49
_cell_angle_gamma   32.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHg2Ru
_chemical_formula_sum   'Zn1 Hg2 Ru1'
_cell_volume   74.03
_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
  Zn  Zn3  1  0.98  0.0  0.08  1.0
  Hg  Hg0  1  0.03  0.0  0.18  1.0
  Hg  Hg1  1  0.26  0.0  0.03  1.0
  Ru  Ru2  1  0.25  0.0  0.33  1.0

data_ZnHg2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.71
_cell_length_c   5.55
_cell_angle_alpha   109.49
_cell_angle_beta   106.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHg2Ru
_chemical_formula_sum   'Zn1 Hg2 Ru1'
_cell_volume   74.03
_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
  Zn  Zn0  1  0.0  0.08  0.98  1.0
  Hg  Hg1  1  0.0  0.03  0.26  1.0
  Hg  Hg2  1  0.0  0.18  0.03  1.0
  Ru  Ru3  1  0.0  0.33  0.25  1.0

Zn Hg Hg Ru
Zn Hg Hg Ru 0 1 + o o 0 2 + o o 1 2 o o o 1 3 o o o 2 3 o o o 