data_[Li4Nb4P16O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  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 [12.1756]
_cell_length_b [8.5010]
_cell_length_c [10.2668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiNb(PO3)4]
_chemical_formula_sum '[Li4 Nb4 P16 O48]'
_cell_volume [929.8558]
_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  0.2500  0.2500  0.5000  1
  Nb  Nb1  4  0.0000  0.0565  0.2500  1
  P  P2  8  0.0073  0.2680  0.9756  1
  P  P3  8  0.1961  0.4895  0.1958  1
  O  O4  8  0.0329  0.1294  0.9049  1
  O  O5  8  0.0465  0.2357  0.4205  1
  O  O6  8  0.0819  0.3862  0.6527  1
  O  O7  8  0.1357  0.3632  0.0595  1
  O  O8  8  0.2043  0.0730  0.3263  1
  O  O9  8  0.2265  0.4167  0.3397  1
]