# generated using pymatgen
data_NdFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52331700
_cell_length_b   5.12555900
_cell_length_c   12.14826000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdFeO3
_chemical_formula_sum   'Nd4 Fe4 O12'
_cell_volume   281.65167606
_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  0.53397200  0.60831200  0.25000000  1.0
  Nd  Nd1  1  0.96602800  0.10831200  0.25000000  1.0
  Nd  Nd2  1  0.03397200  0.89168800  0.75000000  1.0
  Nd  Nd3  1  0.46602800  0.39168800  0.75000000  1.0
  Fe  Fe4  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe5  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe6  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe7  1  0.00000000  0.00000000  0.50000000  1.0
  O  O8  1  0.26574700  0.23940900  0.56136500  1.0
  O  O9  1  0.23425300  0.73940900  0.56136500  1.0
  O  O10  1  0.76574700  0.26059100  0.06136500  1.0
  O  O11  1  0.04914600  0.53320800  0.25000000  1.0
  O  O12  1  0.54914600  0.96679200  0.75000000  1.0
  O  O13  1  0.73425300  0.76059100  0.43863500  1.0
  O  O14  1  0.45085400  0.03320800  0.25000000  1.0
  O  O15  1  0.76574700  0.26059100  0.43863500  1.0
  O  O16  1  0.73425300  0.76059100  0.06136500  1.0
  O  O17  1  0.23425300  0.73940900  0.93863500  1.0
  O  O18  1  0.95085400  0.46679200  0.75000000  1.0
  O  O19  1  0.26574700  0.23940900  0.93863500  1.0