# generated using pymatgen
data_NdO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40408500
_cell_length_b   6.53929200
_cell_length_c   6.55138355
_cell_angle_alpha   70.68373261
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdO2
_chemical_formula_sum   'Nd4 O8'
_cell_volume   218.48576072
_cell_formula_units_Z   4
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  0.00169900  0.25108400  0.75222500  1.0
  Nd  Nd1  1  0.49830100  0.25108400  0.25222500  1.0
  Nd  Nd2  1  0.50169900  0.74891600  0.74777500  1.0
  Nd  Nd3  1  0.99830100  0.74891600  0.24777500  1.0
  O  O4  1  0.30218100  0.08979700  0.59388900  1.0
  O  O5  1  0.70481500  0.41147900  0.91529500  1.0
  O  O6  1  0.20481500  0.58852100  0.58470500  1.0
  O  O7  1  0.80218100  0.91020300  0.90611100  1.0
  O  O8  1  0.19781900  0.08979700  0.09388900  1.0
  O  O9  1  0.79518500  0.41147900  0.41529500  1.0
  O  O10  1  0.29518500  0.58852100  0.08470500  1.0
  O  O11  1  0.69781900  0.91020300  0.40611100  1.0