[CIF]
data_Ca2HgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08327204
_cell_length_b   5.08327204
_cell_length_c   3.59354384
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2HgIr
_chemical_formula_sum   'Ca2 Hg1 Ir1'
_cell_volume   92.85593167
_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
  Ca  Ca0  1  0.00000000  2.54163602  1.79677192  1
  Ca  Ca1  1  2.54163602  0.00000000  1.79677192  1
  Hg  Hg2  1  2.54163602  2.54163602  0.00000000  1
  Ir  Ir3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
