# generated using pymatgen
data_NdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20921487
_cell_length_b   4.20921487
_cell_length_c   7.45943043
_cell_angle_alpha   69.16811166
_cell_angle_beta   69.16811166
_cell_angle_gamma   51.75610405
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdO3
_chemical_formula_sum   'Nd2 O6'
_cell_volume   95.34562877
_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  0.56387400  0.56387400  0.72120600  1.0
  Nd  Nd1  1  0.43612600  0.43612600  0.27879400  1.0
  O  O2  1  0.70853700  0.70853700  0.36851700  1.0
  O  O3  1  0.00000000  0.00000000  0.50000000  1.0
  O  O4  1  0.22950900  0.22950900  0.03261900  1.0
  O  O5  1  0.77049100  0.77049100  0.96738100  1.0
  O  O6  1  0.00000000  0.00000000  0.00000000  1.0
  O  O7  1  0.29146300  0.29146300  0.63148300  1.0