data_[Li4Nd4P16O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [C2/c]
_cell_length_a [16.3638]
_cell_length_b [6.9549]
_cell_length_c [9.8484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.5925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiNd(PO3)4]
_chemical_formula_sum '[Li4 Nd4 P16 O48]'
_cell_volume [899.9129]
_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
[
  Li  Li0  4  0.0000  0.0000  0.0000  1
  Nd  Nd1  4  0.0000  0.2191  0.2500  1
  P  P2  8  0.1331  0.4328  0.6616  1
  P  P3  8  0.1522  0.1735  0.0877  1
  O  O4  8  0.0598  0.4976  0.1931  1
  O  O5  8  0.0769  0.0949  0.9133  1
  O  O6  8  0.1075  0.2588  0.5525  1
  O  O7  8  0.1255  0.1228  0.2069  1
  O  O8  8  0.1646  0.5985  0.5854  1
  O  O9  8  0.2377  0.3983  0.8464  1
]