data_NbPIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.15
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   105.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPIr2
_chemical_formula_sum   'Nb1 P1 Ir2'
_cell_volume   59.44
_cell_formula_units_Z   1
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
  Nb  Nb2  1  0.74  0.0  0.5  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.2  0.07  0.18  1.0
  Ir  Ir1  1  0.27  0.07  0.82  1.0

data_NbPIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.15
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   105.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPIr2
_chemical_formula_sum   'Nb1 P1 Ir2'
_cell_volume   59.44
_cell_formula_units_Z   1
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
  Nb  Nb0  1  0.74  0.0  0.5  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.2  0.07  0.18  1.0
  Ir  Ir3  1  0.27  0.07  0.82  1.0

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