# generated using pymatgen
data_NdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18863300
_cell_length_b   4.19593552
_cell_length_c   7.77411451
_cell_angle_alpha   82.81346587
_cell_angle_beta   105.54724291
_cell_angle_gamma   119.30154684
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdO3
_chemical_formula_sum   'Nd2 O6'
_cell_volume   114.78790825
_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  0.53374100  0.81170000  0.25742600  1.0
  Nd  Nd1  1  0.39849100  0.16427000  0.64386000  1.0
  O  O2  1  0.23851000  0.15401100  0.33938200  1.0
  O  O3  1  0.10080800  0.39589200  0.82109100  1.0
  O  O4  1  0.69340400  0.81263400  0.58192300  1.0
  O  O5  1  0.31737700  0.72596100  0.90547900  1.0
  O  O6  1  0.80569500  0.48072100  0.13312000  1.0
  O  O7  1  0.91528400  0.45826600  0.31960300  1.0