# generated using pymatgen
data_NdTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50560400
_cell_length_b   5.73577500
_cell_length_c   7.85485600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTiO3
_chemical_formula_sum   'Nd4 Ti4 O12'
_cell_volume   248.04775756
_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  0.01517100  0.93938700  0.75000000  1.0
  Nd  Nd1  1  0.51517100  0.56061300  0.25000000  1.0
  Nd  Nd2  1  0.48482900  0.43938700  0.75000000  1.0
  Nd  Nd3  1  0.98482900  0.06061300  0.25000000  1.0
  Ti  Ti4  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti5  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti6  1  0.50000000  0.00000000  0.00000000  1.0
  Ti  Ti7  1  0.00000000  0.50000000  0.00000000  1.0
  O  O8  1  0.70098300  0.29552000  0.45199200  1.0
  O  O9  1  0.20098300  0.20448000  0.54800800  1.0
  O  O10  1  0.79901700  0.79552000  0.04800800  1.0
  O  O11  1  0.29901700  0.70448000  0.95199200  1.0
  O  O12  1  0.29901700  0.70448000  0.54800800  1.0
  O  O13  1  0.79901700  0.79552000  0.45199200  1.0
  O  O14  1  0.20098300  0.20448000  0.95199200  1.0
  O  O15  1  0.70098300  0.29552000  0.04800800  1.0
  O  O16  1  0.09434300  0.47300900  0.25000000  1.0
  O  O17  1  0.59434300  0.02699100  0.75000000  1.0
  O  O18  1  0.40565700  0.97300900  0.25000000  1.0
  O  O19  1  0.90565700  0.52699100  0.75000000  1.0