data_[Li2Ni12P14O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2508]
_cell_length_b [26.3866]
_cell_length_c [6.4025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiNi6P7O24]
_chemical_formula_sum '[Li2 Ni12 P14 O48]'
_cell_volume [846.6869]
_cell_formula_units_Z [2]
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  2  0.1350  0.2500  0.4632  1
  Ni  Ni1  4  0.1248  0.6828  0.2747  1
  Ni  Ni2  4  0.1892  0.5478  0.6893  1
  Ni  Ni3  4  0.2036  0.0971  0.0883  1
  P  P4  4  0.2434  0.6671  0.8046  1
  P  P5  4  0.2895  0.5240  0.2047  1
  P  P6  4  0.3145  0.1105  0.6168  1
  P  P7  2  0.4640  0.2500  0.9054  1
  O  O8  4  0.0576  0.6642  0.9504  1
  O  O9  4  0.1071  0.6942  0.5897  1
  O  O10  4  0.1217  0.5483  0.9880  1
  O  O11  4  0.1372  0.0954  0.3863  1
  O  O12  4  0.1386  0.5226  0.3755  1
  O  O13  4  0.1421  0.1230  0.7680  1
  O  O14  4  0.3940  0.6185  0.7848  1
  O  O15  4  0.4149  0.0271  0.1723  1
  O  O16  4  0.4511  0.0582  0.7120  1
  O  O17  4  0.4851  0.6510  0.3855  1
  O  O18  4  0.4933  0.7031  0.9363  1
  O  O19  2  0.1684  0.2500  0.7771  1
  O  O20  2  0.3431  0.7500  0.2321  1
]