data_P3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   10.2
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P3Ir
_chemical_formula_sum   'P12 Ir4'
_cell_volume   327.59
_cell_formula_units_Z   4
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  P4  1  0.25  0.65  0.97  1.0
  P  P5  1  0.59  0.55  0.13  1.0
  P  P6  1  0.08  0.65  0.54  1.0
  P  P7  1  0.42  0.55  0.7  1.0
  P  P8  1  0.48  0.77  0.13  1.0
  P  P9  1  0.02  0.43  0.97  1.0
  P  P10  1  0.65  0.53  0.7  1.0
  P  P11  1  0.19  0.67  0.54  1.0
  P  P12  1  0.19  0.43  0.54  1.0
  P  P13  1  0.65  0.77  0.7  1.0
  P  P14  1  0.02  0.67  0.97  1.0
  P  P15  1  0.48  0.53  0.13  1.0
  Ir  Ir0  1  0.88  0.65  0.73  1.0
  Ir  Ir1  1  0.95  0.55  0.56  1.0
  Ir  Ir2  1  0.72  0.65  0.1  1.0
  Ir  Ir3  1  0.78  0.55  0.94  1.0

data_P3Ir
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   10.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   P3Ir
_chemical_formula_sum   'P12 Ir4'
_cell_volume   327.59
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.19  0.13  0.07  1.0
  P  P1  2  0.19  0.13  0.83  1.0
  P  P2  2  0.25  0.7  0.05  1.0
  P  P3  2  0.35  0.7  0.83  1.0
  P  P4  2  0.35  0.7  0.07  1.0
  P  P5  2  0.41  0.13  0.05  1.0
  Ir  Ir6  2  0.05  0.9  0.05  1.0
  Ir  Ir7  2  0.12  0.73  0.95  1.0

P P P P P P P P P P P P Ir Ir Ir Ir
P P P P P P P P P P P P Ir Ir Ir Ir 0 10 o o o 0 4 o o + 1 11 o o o 1 14 o o o 1 15 o o - 2 7 o o o 2 12 - o o 2 13 - o o 3 6 o o o 3 8 o o o 4 14 o o o 5 15 - o o 6 15 o o o 8 13 - o o 9 12 o o o 10 12 - o o 12 15 o o o 12 13 o o o 14 15 o o - 