# generated using pymatgen
data_Nd5FeIrO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98020109
_cell_length_b   6.98020101
_cell_length_c   7.56909285
_cell_angle_alpha   74.33394143
_cell_angle_beta   74.33394267
_cell_angle_gamma   51.11795998
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5FeIrO12
_chemical_formula_sum   'Nd5 Fe1 Ir1 O12'
_cell_volume   273.91925888
_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  0.31143139  0.30410318  0.35757878  1.0
  Nd  Nd1  1  0.69589682  0.68856861  0.64242122  1.0
  Nd  Nd2  1  0.69081886  0.69183291  0.16781576  1.0
  Nd  Nd3  1  0.30816709  0.30918114  0.83218424  1.0
  Nd  Nd4  1  0.00306010  0.99693990  0.50000000  1.0
  Fe  Fe5  1  0.76096992  0.23903008  1.00000000  1.0
  Ir  Ir6  1  0.23804564  0.76195436  0.00000000  1.0
  O  O7  1  0.09686524  0.59211018  0.57914604  1.0
  O  O8  1  0.99795876  0.99906438  0.17963353  1.0
  O  O9  1  0.40788982  0.90313476  0.42085396  1.0
  O  O10  1  0.49128170  0.50925968  0.17387640  1.0
  O  O11  1  0.09701208  0.58246236  0.07774769  1.0
  O  O12  1  0.90607631  0.40300634  0.42124988  1.0
  O  O13  1  0.00093562  0.00204124  0.82036647  1.0
  O  O14  1  0.59699366  0.09392269  0.57875012  1.0
  O  O15  1  0.49074032  0.50871830  0.82612360  1.0
  O  O16  1  0.59206685  0.10374781  0.07426148  1.0
  O  O17  1  0.41753764  0.90298792  0.92225231  1.0
  O  O18  1  0.89625219  0.40793315  0.92573852  1.0