data_Hg2AsIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.2
_cell_length_b   10.2
_cell_length_c   10.2
_cell_angle_alpha   16.92
_cell_angle_beta   16.92
_cell_angle_gamma   16.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2AsIr
_chemical_formula_sum   'Hg2 As1 Ir1'
_cell_volume   78.45
_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
  Hg  Hg1  1  0.0  0.0  0.34  1.0
  Hg  Hg2  1  0.0  0.0  0.81  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.08  1.0

data_Hg2AsIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   3.0
_cell_length_c   10.2
_cell_angle_alpha   90.0
_cell_angle_beta   99.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg2AsIr
_chemical_formula_sum   'Hg4 As2 Ir2'
_cell_volume   156.89
_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
  Hg  Hg0  2  0.0  0.0  0.19  1.0
  Hg  Hg1  2  0.0  0.0  0.66  1.0
  As  As2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.92  1.0

Hg Hg As Ir