data_PIrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42
_cell_length_b   8.42
_cell_length_c   8.42
_cell_angle_alpha   160.18
_cell_angle_beta   160.18
_cell_angle_gamma   28.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PIrBr
_chemical_formula_sum   'P1 Ir1 Br1'
_cell_volume   68.57
_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
  P  P2  1  0.0  0.0  0.59  1.0
  Ir  Ir1  1  0.0  0.0  0.53  1.0
  Br  Br0  1  0.0  0.0  0.21  1.0

data_PIrBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   104.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PIrBr
_chemical_formula_sum   'P2 Ir2 Br2'
_cell_volume   137.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  P  P0  2  0.0  0.0  0.41  1.0
  Ir  Ir1  2  0.0  0.0  0.47  1.0
  Br  Br2  2  0.0  0.0  0.79  1.0

P Ir Br