data_Ir2AuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.24
_cell_angle_alpha   101.87
_cell_angle_beta   101.87
_cell_angle_gamma   37.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2AuBr
_chemical_formula_sum   'Ir2 Au1 Br1'
_cell_volume   67.48
_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
  Ir  Ir2  1  0.42  0.0  0.85  1.0
  Ir  Ir3  1  0.32  0.0  0.27  1.0
  Au  Au0  1  0.87  0.0  0.56  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_Ir2AuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.68
_cell_length_c   5.24
_cell_angle_alpha   101.87
_cell_angle_beta   90.0
_cell_angle_gamma   108.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2AuBr
_chemical_formula_sum   'Ir2 Au1 Br1'
_cell_volume   67.48
_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
  Ir  Ir0  1  0.0  0.58  0.15  1.0
  Ir  Ir1  1  0.0  0.68  0.73  1.0
  Au  Au2  1  0.0  0.13  0.44  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ir Ir Au Br