data_[Nd6N8O33]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.5950]
_cell_length_b [9.8654]
_cell_length_c [10.5937]
_cell_angle_alpha [62.7223]
_cell_angle_beta [63.9499]
_cell_angle_gamma [88.1734]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd6N8O33]
_chemical_formula_sum '[Nd6 N8 O33]'
_cell_volume [782.5049]
_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  2  0.2606  0.2439  0.6179  1
  Nd  Nd1  2  0.3077  0.6673  0.4946  1
  Nd  Nd2  2  0.4098  0.4216  0.8212  1
  N  N3  2  0.1121  0.8206  0.3244  1
  N  N4  2  0.1312  0.5060  0.1237  1
  N  N5  2  0.2158  0.9151  0.6724  1
  N  N6  2  0.4714  0.2167  0.0989  1
  O  O7  2  0.0297  0.8882  0.2573  1
  O  O8  2  0.0423  0.4007  0.2665  1
  O  O9  2  0.0818  0.6726  0.4068  1
  O  O10  2  0.1683  0.4768  0.0090  1
  O  O11  2  0.1818  0.6374  0.0941  1
  O  O12  2  0.1946  0.9364  0.7882  1
  O  O13  2  0.1998  0.7799  0.6924  1
  O  O14  2  0.2239  0.8995  0.3118  1
  O  O15  2  0.2262  0.4145  0.7272  1
  O  O16  2  0.2546  0.0338  0.5346  1
  O  O17  2  0.3249  0.4923  0.3889  1
  O  O18  2  0.4151  0.3401  0.0892  1
  O  O19  2  0.4269  0.2404  0.7287  1
  O  O20  2  0.4804  0.6794  0.6026  1
  O  O21  2  0.4946  0.1851  0.9880  1
  O  O22  2  0.4985  0.8642  0.7910  1
  O  O23  1  0.5000  0.5000  0.5000  1
]