data_InHgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   146.08
_cell_angle_beta   137.62
_cell_angle_gamma   55.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHgIr
_chemical_formula_sum   'In1 Hg1 Ir1'
_cell_volume   57.78
_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
  In  In1  1  0.0  0.0  0.52  1.0
  Hg  Hg0  1  0.0  0.0  0.46  1.0
  Ir  Ir2  1  0.0  0.0  0.03  1.0

data_InHgIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.88
_cell_length_c   5.37
_cell_angle_alpha   111.19
_cell_angle_beta   106.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHgIr
_chemical_formula_sum   'In1 Hg1 Ir1'
_cell_volume   57.78
_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
  In  In0  1  0.0  0.52  0.52  1.0
  Hg  Hg1  1  0.0  0.46  0.46  1.0
  Ir  Ir2  1  0.0  0.03  0.03  1.0

In Hg Ir