# generated using pymatgen
data_NdPIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11060011
_cell_length_b   4.11059960
_cell_length_c   7.65447923
_cell_angle_alpha   105.57558466
_cell_angle_beta   105.57557444
_cell_angle_gamma   90.00001984
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdPIr
_chemical_formula_sum   'Nd2 P2 Ir2'
_cell_volume   119.65024352
_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
  Nd  Nd0  1  0.75082533  0.25082533  0.50165066  1.0
  Nd  Nd1  1  0.00082533  0.00082533  0.00165066  1.0
  P  P2  1  0.32981039  0.82981039  0.65962079  1.0
  P  P3  1  0.57981039  0.57981039  0.15962079  1.0
  Ir  Ir4  1  0.41206427  0.41206427  0.82412855  1.0
  Ir  Ir5  1  0.16206427  0.66206427  0.32412855  1.0