# generated using pymatgen
data_Nd5(IrO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06161925
_cell_length_b   7.06161839
_cell_length_c   7.50613801
_cell_angle_alpha   74.61312092
_cell_angle_beta   74.61312212
_cell_angle_gamma   51.32774070
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5(IrO6)2
_chemical_formula_sum   'Nd5 Ir2 O12'
_cell_volume   279.28308415
_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  0.30397725  0.30397725  0.35888365  1.0
  Nd  Nd1  1  0.69602275  0.69602275  0.64111635  1.0
  Nd  Nd2  1  0.69326253  0.69326253  0.16703695  1.0
  Nd  Nd3  1  0.30673747  0.30673747  0.83296305  1.0
  Nd  Nd4  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir5  1  0.75368531  0.24631469  1.00000000  1.0
  Ir  Ir6  1  0.24631469  0.75368531  0.00000000  1.0
  O  O7  1  0.09568004  0.59769022  0.57614073  1.0
  O  O8  1  0.99975820  0.99975820  0.17341248  1.0
  O  O9  1  0.40230978  0.90431996  0.42385927  1.0
  O  O10  1  0.50034156  0.50034156  0.17630750  1.0
  O  O11  1  0.10034103  0.57711325  0.08055656  1.0
  O  O12  1  0.90431996  0.40230978  0.42385927  1.0
  O  O13  1  0.00024180  0.00024180  0.82658752  1.0
  O  O14  1  0.59769022  0.09567904  0.57614073  1.0
  O  O15  1  0.49965844  0.49965844  0.82369250  1.0
  O  O16  1  0.57711325  0.10034103  0.08055656  1.0
  O  O17  1  0.42288675  0.89965897  0.91944344  1.0
  O  O18  1  0.89965897  0.42288675  0.91944344  1.0