# generated using pymatgen
data_PrNbP3Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07030806
_cell_length_b   11.05795794
_cell_length_c   12.49569207
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrNbP3Ir4
_chemical_formula_sum   'Pr4 Nb4 P12 Ir16'
_cell_volume   562.42229524
_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
  Pr  Pr0  1  0.25000000  0.58121697  0.70373369  1.0
  Pr  Pr1  1  0.25000000  0.91878303  0.20373369  1.0
  Pr  Pr2  1  0.75000000  0.41878303  0.29626631  1.0
  Pr  Pr3  1  0.75000000  0.08121697  0.79626631  1.0
  Nb  Nb4  1  0.25000000  0.70975021  0.98454946  1.0
  Nb  Nb5  1  0.25000000  0.79024979  0.48454946  1.0
  Nb  Nb6  1  0.75000000  0.29024979  0.01545054  1.0
  Nb  Nb7  1  0.75000000  0.20975021  0.51545054  1.0
  P  P8  1  0.25000000  0.42171767  0.11770843  1.0
  P  P9  1  0.25000000  0.07828233  0.61770843  1.0
  P  P10  1  0.75000000  0.57828233  0.88229157  1.0
  P  P11  1  0.75000000  0.92171767  0.38229157  1.0
  P  P12  1  0.25000000  0.26157392  0.87187242  1.0
  P  P13  1  0.25000000  0.23842608  0.37187242  1.0
  P  P14  1  0.75000000  0.73842608  0.12812758  1.0
  P  P15  1  0.75000000  0.76157392  0.62812758  1.0
  P  P16  1  0.25000000  0.59617295  0.39343672  1.0
  P  P17  1  0.25000000  0.90382705  0.89343672  1.0
  P  P18  1  0.75000000  0.40382705  0.60656328  1.0
  P  P19  1  0.75000000  0.09617295  0.10656328  1.0
  Ir  Ir20  1  0.25000000  0.40608154  0.48913283  1.0
  Ir  Ir21  1  0.25000000  0.09391846  0.98913283  1.0
  Ir  Ir22  1  0.75000000  0.59391846  0.51086717  1.0
  Ir  Ir23  1  0.75000000  0.90608154  0.01086717  1.0
  Ir  Ir24  1  0.25000000  0.23385597  0.18485758  1.0
  Ir  Ir25  1  0.25000000  0.26614403  0.68485758  1.0
  Ir  Ir26  1  0.75000000  0.76614403  0.81514242  1.0
  Ir  Ir27  1  0.75000000  0.73385597  0.31514242  1.0
  Ir  Ir28  1  0.25000000  0.89269129  0.70522730  1.0
  Ir  Ir29  1  0.25000000  0.60730871  0.20522730  1.0
  Ir  Ir30  1  0.75000000  0.10730871  0.29477270  1.0
  Ir  Ir31  1  0.75000000  0.39269129  0.79477270  1.0
  Ir  Ir32  1  0.25000000  0.45636133  0.93669274  1.0
  Ir  Ir33  1  0.25000000  0.04363867  0.43669274  1.0
  Ir  Ir34  1  0.75000000  0.54363867  0.06330726  1.0
  Ir  Ir35  1  0.75000000  0.95636133  0.56330726  1.0