data_Hg2IrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   5.19
_cell_angle_alpha   100.11
_cell_angle_beta   100.11
_cell_angle_gamma   35.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2IrRh
_chemical_formula_sum   'Hg2 Ir1 Rh1'
_cell_volume   70.39
_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  0.7  0.0  0.27  1.0
  Hg  Hg1  1  0.6  0.0  0.83  1.0
  Ir  Ir2  1  0.15  0.0  0.55  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Hg2IrRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.86
_cell_length_c   5.19
_cell_angle_alpha   100.11
_cell_angle_beta   90.0
_cell_angle_gamma   107.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2IrRh
_chemical_formula_sum   'Hg2 Ir1 Rh1'
_cell_volume   70.39
_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  0.3  0.73  1.0
  Hg  Hg1  1  0.0  0.4  0.17  1.0
  Ir  Ir2  1  0.0  0.85  0.45  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Hg Hg Ir Rh