[CIF]
data_PIr2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51127799
_cell_length_b   4.51127799
_cell_length_c   4.51127799
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PIr2Br
_chemical_formula_sum   'P1 Ir2 Br1'
_cell_volume   64.92078637
_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
  Br  Br0  1  4.78493289  4.78493289  4.78493289  1
  Ir  Ir1  1  1.59497763  1.59497763  1.59497763  1
  Ir  Ir2  1  3.18995526  3.18995526  3.18995526  1
  P  P3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
