data_CuHgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   3.77
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHgIr2
_chemical_formula_sum   'Cu1 Hg1 Ir2'
_cell_volume   63.3
_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
  Cu  Cu0  1  0.96  0.0  0.88  1.0
  Hg  Hg1  1  0.32  0.88  0.41  1.0
  Ir  Ir2  1  1.0  0.0  0.25  1.0
  Ir  Ir3  1  0.39  0.88  0.46  1.0

data_CuHgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.77
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHgIr2
_chemical_formula_sum   'Cu1 Hg1 Ir2'
_cell_volume   63.3
_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
  Cu  Cu0  1  0.96  0.0  0.88  1.0
  Hg  Hg1  1  0.32  0.88  0.41  1.0
  Ir  Ir2  1  0.39  0.88  0.46  1.0
  Ir  Ir3  1  1.0  0.0  0.25  1.0

Cu Hg Ir Ir