data_HgGeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   134.16
_cell_angle_beta   134.16
_cell_angle_gamma   66.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGeIr2
_chemical_formula_sum   'Hg1 Ge1 Ir2'
_cell_volume   66.07
_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  Hg1  1  0.98  0.0  0.12  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.23  1.0
  Ir  Ir3  1  0.0  0.98  0.12  1.0

data_HgGeIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.07
_cell_angle_alpha   112.92
_cell_angle_beta   112.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGeIr2
_chemical_formula_sum   'Hg1 Ge1 Ir2'
_cell_volume   66.07
_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  0.88  0.0  0.86  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.77  0.0  0.77  1.0
  Ir  Ir3  1  0.86  0.98  0.86  1.0

Hg Ge Ir Ir