# generated using pymatgen
data_Nd4Fe(NiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38443310
_cell_length_b   5.44736570
_cell_length_c   7.65491312
_cell_angle_alpha   89.70662342
_cell_angle_beta   89.98297197
_cell_angle_gamma   90.04798651
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4Fe(NiO4)3
_chemical_formula_sum   'Nd4 Fe1 Ni3 O12'
_cell_volume   224.52304246
_cell_formula_units_Z   1
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  0.00880246  0.95339080  0.75369768  1.0
  Nd  Nd1  1  0.49009757  0.45702032  0.75392115  1.0
  Nd  Nd2  1  0.50990243  0.54297968  0.24607885  1.0
  Nd  Nd3  1  0.99119754  0.04660920  0.24630232  1.0
  Fe  Fe4  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni5  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni6  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni7  1  0.50000000  0.00000000  0.00000000  1.0
  O  O8  1  0.71208320  0.28502609  0.46095785  1.0
  O  O9  1  0.78854896  0.78726953  0.04026986  1.0
  O  O10  1  0.21712038  0.21011631  0.53862252  1.0
  O  O11  1  0.28557865  0.71069857  0.96011541  1.0
  O  O12  1  0.28791680  0.71497391  0.53904215  1.0
  O  O13  1  0.21145104  0.21273047  0.95973014  1.0
  O  O14  1  0.78287962  0.78988369  0.46137748  1.0
  O  O15  1  0.71442135  0.28930143  0.03988459  1.0
  O  O16  1  0.07597640  0.48756757  0.24657500  1.0
  O  O17  1  0.42878539  0.99004750  0.25041245  1.0
  O  O18  1  0.57121461  0.00995250  0.74958755  1.0
  O  O19  1  0.92402360  0.51243243  0.75342500  1.0