data_[Na4Nd4P16O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1502]
_cell_length_b [13.0139]
_cell_length_c [12.0599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaNd(PO3)4]
_chemical_formula_sum '[Na4 Nd4 P16 O48]'
_cell_volume [911.6825]
_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
[
  Na  Na0  4  0.4352  0.7211  0.4344  1
  Nd  Nd1  4  0.0379  0.7146  0.5238  1
  P  P2  4  0.0782  0.5890  0.8060  1
  P  P3  4  0.1616  0.1289  0.3085  1
  P  P4  4  0.3842  0.1151  0.7650  1
  P  P5  4  0.4970  0.1002  0.2433  1
  O  O6  4  0.0270  0.6301  0.3410  1
  O  O7  4  0.1537  0.6062  0.7149  1
  O  O8  4  0.1569  0.0232  0.3757  1
  O  O9  4  0.1603  0.6632  0.9205  1
  O  O10  4  0.1828  0.2149  0.3977  1
  O  O11  4  0.1974  0.0793  0.7907  1
  O  O12  4  0.2888  0.1931  0.6541  1
  O  O13  4  0.2950  0.6656  0.2080  1
  O  O14  4  0.3086  0.1030  0.0928  1
  O  O15  4  0.4058  0.6428  0.5972  1
  O  O16  4  0.4092  0.1258  0.3354  1
  O  O17  4  0.4181  0.0145  0.7039  1
]