data_Hg4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   99.15
_cell_angle_beta   99.15
_cell_angle_gamma   132.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg4Ir
_chemical_formula_sum   'Hg4 Ir1'
_cell_volume   102.86
_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  Hg0  1  0.02  0.27  0.13  1.0
  Hg  Hg1  1  0.46  0.2  0.0  1.0
  Hg  Hg2  1  0.73  0.02  0.13  1.0
  Hg  Hg3  1  0.74  0.46  0.0  1.0
  Ir  Ir4  1  0.0  0.0  0.0  1.0

data_Hg4Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   80.85
_cell_angle_beta   66.49
_cell_angle_gamma   66.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg4Ir
_chemical_formula_sum   'Hg4 Ir1'
_cell_volume   102.86
_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  Hg0  1  0.02  0.71  0.87  1.0
  Hg  Hg1  1  0.2  0.25  0.0  1.0
  Hg  Hg2  1  0.27  0.75  0.87  1.0
  Hg  Hg3  1  0.46  0.29  0.0  1.0
  Ir  Ir4  1  0.0  0.0  0.0  1.0

Hg Hg Hg Hg Ir