data_PIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PIr
_chemical_formula_sum   'P2 Ir2'
_cell_volume   64.68
_cell_formula_units_Z   2
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  0.38  0.21  0.51  1.0
  P  P3  1  0.38  0.79  0.18  1.0
  Ir  Ir0  1  0.38  0.21  0.24  1.0
  Ir  Ir1  1  0.38  0.79  0.45  1.0

data_PIr
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   2.79
_cell_length_b   4.79
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   PIr
_chemical_formula_sum   'P4 Ir4'
_cell_volume   129.37
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.21  0.0  0.67  1.0
  Ir  Ir1  4  0.21  0.0  0.4  1.0

P P Ir Ir
P P Ir Ir 0 3 o - o 1 2 o + o 