# generated using pymatgen
data_NdO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85377100
_cell_length_b   5.82614600
_cell_length_c   5.90673165
_cell_angle_alpha   80.86209080
_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   198.89204143
_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  0.52658800  0.28679000  0.28824200  1.0
  Nd  Nd1  1  0.97341200  0.78679000  0.28824200  1.0
  Nd  Nd2  1  0.02658800  0.21321000  0.71175800  1.0
  Nd  Nd3  1  0.47341200  0.71321000  0.71175800  1.0
  O  O4  1  0.83753200  0.16067200  0.07139500  1.0
  O  O5  1  0.66246800  0.66067200  0.07139500  1.0
  O  O6  1  0.25329500  0.00982000  0.46944000  1.0
  O  O7  1  0.24670500  0.50982000  0.46944000  1.0
  O  O8  1  0.75329500  0.49018000  0.53056000  1.0
  O  O9  1  0.74670500  0.99018000  0.53056000  1.0
  O  O10  1  0.33753200  0.33932800  0.92860500  1.0
  O  O11  1  0.16246800  0.83932800  0.92860500  1.0