# generated using pymatgen
data_Nd2Ir2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36125459
_cell_length_b   7.36123286
_cell_length_c   7.36096380
_cell_angle_alpha   59.99770842
_cell_angle_beta   59.99779222
_cell_angle_gamma   59.99902057
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Ir2O7
_chemical_formula_sum   'Nd4 Ir4 O14'
_cell_volume   282.03570653
_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  0.62499837  0.12499253  0.12500583  1.0
  Nd  Nd1  1  0.12499800  0.62500428  0.12500080  1.0
  Nd  Nd2  1  0.12500461  0.12499450  0.62499647  1.0
  Nd  Nd3  1  0.12500301  0.12499201  0.12500632  1.0
  Ir  Ir4  1  0.12500259  0.62501078  0.62499084  1.0
  Ir  Ir5  1  0.62500264  0.12499668  0.62499707  1.0
  Ir  Ir6  1  0.62499214  0.62500936  0.12500375  1.0
  Ir  Ir7  1  0.62499929  0.62501122  0.62498916  1.0
  O  O8  1  0.70727898  0.70728611  0.29270444  1.0
  O  O9  1  0.29273442  0.29270786  0.70728029  1.0
  O  O10  1  0.70727821  0.29271189  0.70728236  1.0
  O  O11  1  0.29273242  0.70728299  0.29270625  1.0
  O  O12  1  0.29271829  0.70728341  0.70728195  1.0
  O  O13  1  0.70727811  0.29271430  0.29273849  1.0
  O  O14  1  0.54271968  0.54271411  0.95730132  1.0
  O  O15  1  0.95727075  0.95728647  0.54271545  1.0
  O  O16  1  0.54272723  0.95729038  0.54270735  1.0
  O  O17  1  0.95725579  0.54271342  0.95731416  1.0
  O  O18  1  0.95727880  0.54272484  0.54270847  1.0
  O  O19  1  0.54272501  0.95727899  0.95726650  1.0
  O  O20  1  0.25000082  0.24999842  0.24999840  1.0
  O  O21  1  1.00000083  0.99999545  0.00000431  1.0