data_[Nd4P16N4O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0479]
_cell_length_b [12.6379]
_cell_length_c [10.7579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NdP4NO12]
_chemical_formula_sum '[Nd4 P16 N4 O48]'
_cell_volume [1025.1778]
_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  4  0.0000  0.1188  0.7500  1
  P  P1  8  0.0426  0.3293  0.9998  1
  P  P2  8  0.2140  0.4777  0.4419  1
  N  N3  4  0.0000  0.1824  0.2500  1
  O  O4  8  0.0520  0.2455  0.5977  1
  O  O5  8  0.0687  0.4289  0.9130  1
  O  O6  8  0.0975  0.3741  0.4360  1
  O  O7  8  0.1486  0.0108  0.4217  1
  O  O8  8  0.2101  0.3039  0.1119  1
  O  O9  8  0.2208  0.0291  0.6722  1
]