# generated using pymatgen
data_Nd3IrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62010940
_cell_length_b   6.62010940
_cell_length_c   7.54129676
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.91291148
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3IrO7
_chemical_formula_sum   'Nd6 Ir2 O14'
_cell_volume   306.62555473
_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  0.00000000  0.00000000  -0.00000000  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.50000000  1.0
  Nd  Nd2  1  0.47178642  0.91449439  0.75000000  1.0
  Nd  Nd3  1  0.52821358  0.08550561  0.25000000  1.0
  Nd  Nd4  1  0.91449439  0.47178642  0.75000000  1.0
  Nd  Nd5  1  0.08550561  0.52821358  0.25000000  1.0
  Ir  Ir6  1  0.50000000  0.50000000  -0.00000000  1.0
  Ir  Ir7  1  0.50000000  0.50000000  0.50000000  1.0
  O  O8  1  0.59343804  0.59343804  0.75000000  1.0
  O  O9  1  0.40656196  0.40656196  0.25000000  1.0
  O  O10  1  0.84291264  0.10535601  0.75000000  1.0
  O  O11  1  0.15708736  0.89464399  0.25000000  1.0
  O  O12  1  0.10535601  0.84291264  0.75000000  1.0
  O  O13  1  0.89464399  0.15708736  0.25000000  1.0
  O  O14  1  0.44221157  0.18870940  0.95939792  1.0
  O  O15  1  0.55778843  0.81129060  0.45939792  1.0
  O  O16  1  0.18870940  0.44221157  0.95939792  1.0
  O  O17  1  0.81129060  0.55778843  0.45939792  1.0
  O  O18  1  0.44221157  0.18870940  0.54060208  1.0
  O  O19  1  0.55778843  0.81129060  0.04060208  1.0
  O  O20  1  0.81129060  0.55778843  0.04060208  1.0
  O  O21  1  0.18870940  0.44221157  0.54060208  1.0