# generated using pymatgen
data_NdEr3(Ir2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24276825
_cell_length_b   7.15951300
_cell_length_c   7.15951187
_cell_angle_alpha   60.00000072
_cell_angle_beta   60.37952761
_cell_angle_gamma   60.37953634
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdEr3(Ir2O7)2
_chemical_formula_sum   'Nd1 Er3 Ir4 O14'
_cell_volume   264.01232226
_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  0.62500000  0.12500000  0.12500000  1.0
  Er  Er1  1  0.12500000  0.62500000  0.12500000  1.0
  Er  Er2  1  0.12500000  0.12500000  0.62500000  1.0
  Er  Er3  1  0.12500000  0.12500000  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  0.72505761  0.70033559  0.28730340  1.0
  O  O9  1  0.28682718  0.28854963  0.71231209  1.0
  O  O10  1  0.72505761  0.28730340  0.70033559  1.0
  O  O11  1  0.28682718  0.71231209  0.28854963  1.0
  O  O12  1  0.28682718  0.71231209  0.71231209  1.0
  O  O13  1  0.72505761  0.28730340  0.28730340  1.0
  O  O14  1  0.52494239  0.54966441  0.96269660  1.0
  O  O15  1  0.96317282  0.96145037  0.53768791  1.0
  O  O16  1  0.52494239  0.96269660  0.54966441  1.0
  O  O17  1  0.96317282  0.53768791  0.96145037  1.0
  O  O18  1  0.96317282  0.53768791  0.53768791  1.0
  O  O19  1  0.52494239  0.96269660  0.96269660  1.0
  O  O20  1  0.23802897  0.25399068  0.25399068  1.0
  O  O21  1  0.01197103  0.99600932  0.99600932  1.0