data_P2IrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2IrBr
_chemical_formula_sum   'P2 Ir1 Br1'
_cell_volume   66.28
_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  0.31  0.98  0.57  1.0
  P  P3  1  0.31  0.02  0.57  1.0
  Ir  Ir1  1  0.61  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_P2IrBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   114.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2IrBr
_chemical_formula_sum   'P2 Ir1 Br1'
_cell_volume   66.28
_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  P0  1  0.57  0.31  0.02  1.0
  P  P1  1  0.57  0.31  0.98  1.0
  Ir  Ir2  1  0.0  0.61  0.0  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

P P Ir Br