# generated using pymatgen
data_Nd2Mn5(PIr)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49878593
_cell_length_b   9.44771558
_cell_length_c   3.98495341
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.45236781
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Mn5(PIr)7
_chemical_formula_sum   'Nd2 Mn5 P7 Ir7'
_cell_volume   308.28402324
_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
  Nd  Nd0  1  0.33260152  0.66737350  0.00000000  1.0
  Nd  Nd1  1  0.66714282  0.33217198  0.50000000  1.0
  Mn  Mn2  1  0.16374473  0.89089324  0.00000000  1.0
  Mn  Mn3  1  0.11267165  0.27636246  0.00000000  1.0
  Mn  Mn4  1  0.73109771  0.83580536  0.00000000  1.0
  Mn  Mn5  1  0.87901167  0.10018884  0.50000000  1.0
  Mn  Mn6  1  0.90439717  0.77186726  0.50000000  1.0
  P  P7  1  0.41625038  0.10810269  0.00000000  1.0
  P  P8  1  0.88864756  0.30133562  0.00000000  1.0
  P  P9  1  0.69753059  0.58300662  0.00000000  1.0
  P  P10  1  0.11655884  0.71413767  0.50000000  1.0
  P  P11  1  0.28693858  0.40734006  0.50000000  1.0
  P  P12  1  0.59391700  0.88336788  0.50000000  1.0
  P  P13  1  0.00763552  0.00400621  0.00000000  1.0
  Ir  Ir14  1  0.42238514  0.35780985  0.00000000  1.0
  Ir  Ir15  1  0.63837082  0.05524040  0.00000000  1.0
  Ir  Ir16  1  0.94071732  0.57662291  0.00000000  1.0
  Ir  Ir17  1  0.38396015  0.94955604  0.50000000  1.0
  Ir  Ir18  1  0.05504741  0.43652036  0.50000000  1.0
  Ir  Ir19  1  0.56318442  0.61726513  0.50000000  1.0
  Ir  Ir20  1  0.19819103  0.13102791  0.50000000  1.0