data_P2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   110.09
_cell_angle_beta   110.09
_cell_angle_gamma   108.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2Ir
_chemical_formula_sum   'P4 Ir2'
_cell_volume   88.64
_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  0.84  0.95  0.0  1.0
  P  P3  1  0.95  0.84  0.85  1.0
  P  P4  1  0.63  0.84  0.0  1.0
  P  P5  1  0.16  0.95  0.85  1.0
  Ir  Ir0  1  0.0  0.0  0.28  1.0
  Ir  Ir1  1  0.0  0.0  0.43  1.0

data_P2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   108.23
_cell_angle_beta   110.09
_cell_angle_gamma   110.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2Ir
_chemical_formula_sum   'P4 Ir2'
_cell_volume   88.64
_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  P0  1  -0.0  0.84  0.95  1.0
  P  P1  1  -0.0  0.63  0.84  1.0
  P  P2  1  0.85  0.16  0.95  1.0
  P  P3  1  0.85  0.95  0.84  1.0
  Ir  Ir4  1  0.28  0.0  0.0  1.0
  Ir  Ir5  1  0.43  0.0  0.0  1.0

P P P P Ir Ir
P P P P Ir Ir 0 2 o o o 0 1 o o - 0 4 + + o 1 3 + o o 4 5 o o o 