data_HgIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.89
_cell_angle_alpha   99.56
_cell_angle_beta   99.56
_cell_angle_gamma   33.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgIr2Ru
_chemical_formula_sum   'Hg1 Ir2 Ru1'
_cell_volume   63.05
_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  0.23  0.0  0.41  1.0
  Ir  Ir1  1  0.7  0.0  0.11  1.0
  Ir  Ir2  1  0.77  0.0  0.71  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_HgIr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.87
_cell_length_c   4.89
_cell_angle_alpha   99.56
_cell_angle_beta   90.0
_cell_angle_gamma   106.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgIr2Ru
_chemical_formula_sum   'Hg1 Ir2 Ru1'
_cell_volume   63.05
_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  0.77  0.59  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.23  0.29  1.0
  Ir  Ir3  1  0.0  0.3  0.89  1.0

Hg Ir Ir Ru