data_NaHgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   153.98
_cell_angle_beta   132.72
_cell_angle_gamma   54.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHgIr2
_chemical_formula_sum   'Na1 Hg1 Ir2'
_cell_volume   75.9
_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
  Na  Na3  1  0.0  0.0  0.36  1.0
  Hg  Hg0  1  0.0  0.48  0.14  1.0
  Ir  Ir1  1  0.0  0.0  0.2  1.0
  Ir  Ir2  1  0.39  0.0  0.29  1.0

data_NaHgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.96
_cell_length_c   6.19
_cell_angle_alpha   113.64
_cell_angle_beta   103.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHgIr2
_chemical_formula_sum   'Na1 Hg1 Ir2'
_cell_volume   75.9
_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
  Na  Na0  1  0.64  0.64  0.64  1.0
  Hg  Hg1  1  0.86  0.34  0.34  1.0
  Ir  Ir2  1  0.1  0.71  0.1  1.0
  Ir  Ir3  1  0.8  0.8  0.8  1.0

Na Hg Ir Ir