data_CdHgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   152.81
_cell_angle_beta   152.81
_cell_angle_gamma   38.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgIr
_chemical_formula_sum   'Cd1 Hg1 Ir1'
_cell_volume   56.96
_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
  Cd  Cd0  1  0.0  0.0  0.19  1.0
  Hg  Hg1  1  0.0  0.0  0.92  1.0
  Ir  Ir2  1  0.0  0.0  0.13  1.0

data_CdHgIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   109.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdHgIr
_chemical_formula_sum   'Cd2 Hg2 Ir2'
_cell_volume   113.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cd  Cd0  2  0.19  0.0  0.19  1.0
  Hg  Hg1  2  0.42  0.5  0.92  1.0
  Ir  Ir2  2  0.13  0.0  0.13  1.0

Cd Hg Ir