data_SrHgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   131.43
_cell_angle_beta   131.43
_cell_angle_gamma   71.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgIr2
_chemical_formula_sum   'Sr1 Hg1 Ir2'
_cell_volume   79.58
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.16  0.0  0.13  1.0
  Ir  Ir1  1  0.0  0.0  0.27  1.0
  Ir  Ir2  1  0.0  0.16  0.13  1.0

data_SrHgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   5.25
_cell_angle_alpha   114.28
_cell_angle_beta   114.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgIr2
_chemical_formula_sum   'Sr1 Hg1 Ir2'
_cell_volume   79.58
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.87  0.0  0.02  1.0
  Ir  Ir2  1  0.02  0.16  0.02  1.0
  Ir  Ir3  1  0.73  0.0  0.73  1.0

Sr Hg Ir Ir