data_V2PIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.3
_cell_length_b   12.06
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PIr2
_chemical_formula_sum   'V8 P4 Ir8'
_cell_volume   279.65
_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
  V  V12  1  0.04  0.65  0.0  1.0
  V  V13  1  0.27  0.41  0.0  1.0
  V  V14  1  0.88  0.38  0.4  1.0
  V  V15  1  0.42  0.68  0.4  1.0
  V  V16  1  0.79  0.85  0.0  1.0
  V  V17  1  0.52  0.21  0.0  1.0
  V  V18  1  0.63  0.24  0.4  1.0
  V  V19  1  0.67  0.82  0.4  1.0
  P  P8  1  0.22  0.18  0.0  1.0
  P  P9  1  0.08  0.88  0.0  1.0
  P  P10  1  0.07  0.85  0.4  1.0
  P  P11  1  0.24  0.21  0.4  1.0
  Ir  Ir0  1  0.84  0.28  0.0  1.0
  Ir  Ir1  1  0.46  0.78  0.0  1.0
  Ir  Ir2  1  0.99  0.75  0.4  1.0
  Ir  Ir3  1  0.31  0.31  0.4  1.0
  Ir  Ir4  1  0.7  0.93  0.0  1.0
  Ir  Ir5  1  0.6  0.13  0.0  1.0
  Ir  Ir6  1  0.86  0.1  0.4  1.0
  Ir  Ir7  1  0.45  0.96  0.4  1.0

data_V2PIr2
_symmetry_space_group_name_H-M   P2
_cell_length_a   8.3
_cell_length_b   2.79
_cell_length_c   12.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   V2PIr2
_chemical_formula_sum   'V8 P4 Ir8'
_cell_volume   279.65
_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
  V  V0  2  0.12  0.0  0.38  1.0
  V  V1  2  0.27  0.6  0.65  1.0
  V  V2  2  0.37  0.0  0.18  1.0
  V  V3  2  0.48  0.6  0.21  1.0
  P  P4  2  0.07  0.0  0.15  1.0
  P  P5  2  0.08  0.6  0.18  1.0
  Ir  Ir6  2  0.16  0.6  0.28  1.0
  Ir  Ir7  2  0.3  0.6  0.93  1.0
  Ir  Ir8  2  0.31  0.0  0.75  1.0
  Ir  Ir9  2  0.45  0.0  0.1  1.0

V V V V V V V V P P P P Ir Ir Ir Ir Ir Ir Ir Ir