# generated using pymatgen
data_NdErIr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25327933
_cell_length_b   7.25328022
_cell_length_c   7.30831294
_cell_angle_alpha   59.74869556
_cell_angle_beta   59.74869145
_cell_angle_gamma   59.50424924
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdErIr2O7
_chemical_formula_sum   'Nd2 Er2 Ir4 O14'
_cell_volume   269.81718422
_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  0.12500000  0.12500000  0.62500000  1.0
  Nd  Nd1  1  0.12500000  0.12500000  0.12500000  1.0
  Er  Er2  1  0.62500000  0.12500000  0.12500000  1.0
  Er  Er3  1  0.12500000  0.62500000  0.12500000  1.0
  Ir  Ir4  1  0.12500000  0.62500000  0.62500000  1.0
  Ir  Ir5  1  0.62500000  0.12500000  0.62500000  1.0
  Ir  Ir6  1  0.62500000  0.62500000  0.12500000  1.0
  Ir  Ir7  1  0.62500000  0.62500000  0.62500000  1.0
  O  O8  1  0.70907951  0.70907951  0.29092049  1.0
  O  O9  1  0.28946302  0.28946302  0.71053698  1.0
  O  O10  1  0.70032021  0.28992901  0.72143645  1.0
  O  O11  1  0.28992901  0.70032021  0.28831534  1.0
  O  O12  1  0.28992901  0.70032021  0.72143645  1.0
  O  O13  1  0.70032021  0.28992901  0.28831534  1.0
  O  O14  1  0.54092049  0.54092049  0.95907951  1.0
  O  O15  1  0.96053698  0.96053698  0.53946302  1.0
  O  O16  1  0.54967979  0.96007099  0.52856355  1.0
  O  O17  1  0.96007099  0.54967979  0.96168466  1.0
  O  O18  1  0.96007099  0.54967979  0.52856355  1.0
  O  O19  1  0.54967979  0.96007099  0.96168466  1.0
  O  O20  1  0.25917451  0.25917451  0.24082549  1.0
  O  O21  1  0.99082549  0.99082549  0.00917451  1.0