data_HgIrBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   10.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   127.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgIrBr2
_chemical_formula_sum   'Hg1 Ir1 Br2'
_cell_volume   140.0
_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  Hg2  1  0.0  0.0  0.15  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.83  0.0  0.63  1.0
  Br  Br1  1  0.83  0.0  0.68  1.0

data_HgIrBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   4.14
_cell_length_c   10.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgIrBr2
_chemical_formula_sum   'Hg1 Ir1 Br2'
_cell_volume   140.0
_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  0.0  0.0  0.15  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.0  0.83  0.63  1.0
  Br  Br3  1  0.0  0.83  0.68  1.0

Hg Ir Br Br