data_As7(P2Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.65
_cell_length_b   3.31
_cell_length_c   15.66
_cell_angle_alpha   90.0
_cell_angle_beta   102.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As7(P2Ir)4
_chemical_formula_sum   'As14 P16 Ir8'
_cell_volume   739.99
_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
  As  As0  1  0.11  0.48  0.65  1.0
  As  As1  1  0.03  0.83  0.61  1.0
  As  As2  1  0.73  0.48  0.42  1.0
  As  As3  1  0.41  0.83  0.84  1.0
  As  As4  1  0.77  0.48  0.36  1.0
  As  As5  1  0.37  0.83  0.9  1.0
  As  As6  1  0.02  0.48  0.4  1.0
  As  As7  1  0.12  0.83  0.86  1.0
  As  As8  1  0.13  0.48  0.13  1.0
  As  As9  1  0.01  0.83  0.13  1.0
  As  As10  1  0.78  0.48  0.89  1.0
  As  As11  1  0.36  0.83  0.37  1.0
  As  As12  1  0.65  0.48  0.96  1.0
  As  As13  1  0.49  0.83  0.3  1.0
  P  P22  1  0.1  0.48  0.15  1.0
  P  P23  1  0.04  0.83  0.11  1.0
  P  P24  1  0.07  0.48  0.23  1.0
  P  P25  1  0.07  0.83  0.04  1.0
  P  P26  1  0.44  0.48  0.03  1.0
  P  P27  1  0.7  0.83  0.23  1.0
  P  P28  1  0.06  0.48  0.55  1.0
  P  P29  1  0.08  0.83  0.72  1.0
  P  P30  1  0.65  0.48  0.88  1.0
  P  P31  1  0.49  0.83  0.38  1.0
  P  P32  1  0.55  0.48  0.69  1.0
  P  P33  1  0.59  0.83  0.57  1.0
  P  P34  1  0.66  0.48  0.93  1.0
  P  P35  1  0.48  0.83  0.33  1.0
  P  P36  1  0.07  0.48  0.36  1.0
  P  P37  1  0.07  0.83  0.9  1.0
  Ir  Ir14  1  0.84  0.48  0.77  1.0
  Ir  Ir15  1  0.3  0.83  0.49  1.0
  Ir  Ir16  1  0.33  0.48  0.78  1.0
  Ir  Ir17  1  0.81  0.83  0.48  1.0
  Ir  Ir18  1  0.12  0.48  0.87  1.0
  Ir  Ir19  1  0.02  0.83  0.39  1.0
  Ir  Ir20  1  0.74  0.48  0.27  1.0
  Ir  Ir21  1  0.4  0.83  0.99  1.0

data_As7(P2Ir)4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.31
_cell_length_b   14.65
_cell_length_c   15.66
_cell_angle_alpha   102.95
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   As7(P2Ir)4
_chemical_formula_sum   'As14 P16 Ir8'
_cell_volume   739.99
_cell_formula_units_Z   2
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
  As  As0  2  0.17  0.44  0.5  1.0
  As  As1  2  0.17  0.46  0.98  1.0
  As  As2  2  0.17  0.55  0.23  1.0
  As  As3  2  0.17  0.79  0.74  1.0
  As  As4  2  0.17  0.8  0.27  1.0
  As  As5  2  0.17  0.84  0.21  1.0
  As  As6  2  0.17  0.92  0.67  1.0
  P  P7  2  0.17  0.02  0.94  1.0
  P  P8  2  0.17  0.13  0.6  1.0
  P  P9  2  0.17  0.47  0.48  1.0
  P  P10  2  0.17  0.5  0.4  1.0
  P  P11  2  0.17  0.5  0.27  1.0
  P  P12  2  0.17  0.51  0.09  1.0
  P  P13  2  0.17  0.91  0.7  1.0
  P  P14  2  0.17  0.92  0.75  1.0
  Ir  Ir15  2  0.17  0.24  0.85  1.0
  Ir  Ir16  2  0.17  0.45  0.76  1.0
  Ir  Ir17  2  0.17  0.73  0.86  1.0
  Ir  Ir18  2  0.17  0.83  0.36  1.0

As As As As As As As As As As As As As As P P P P P P P P P P P P P P P P Ir Ir Ir Ir Ir Ir Ir Ir
As As As As As As As As As As As As As As P P P P P P P P P P P P P P P P Ir Ir Ir Ir Ir Ir Ir Ir 0 20 o o o 0 1 o o o 0 21 o o o 1 20 o o o 1 21 o o o 2 4 o o o 2 33 o o o 3 5 o o o 3 32 o o o 4 36 o o o 5 37 o o o 6 35 o o o 6 28 o o o 7 29 o o o 7 34 o o o 8 14 o o o 9 15 o o o 10 26 o o o 10 22 o o o 10 30 o o o 11 31 o o o 11 27 o o o 11 23 o o o 12 26 o o o 13 27 o o o 14 16 o o o 15 17 o o o 18 37 o o - 19 36 o o o 22 26 o o o 23 27 o o o 24 25 o o o 