data_[Li20Ni8P12O48]
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]
_cell_length_a [8.6267]
_cell_length_b [8.7398]
_cell_length_c [12.2875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Li5Ni2(PO4)3]
_chemical_formula_sum '[Li20 Ni8 P12 O48]'
_cell_volume [926.3376]
_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  2  0.0444  0.7305  0.0662  1
  Li  Li1  2  0.1047  0.7641  0.5018  1
  Li  Li2  2  0.1543  0.8412  0.2754  1
  Li  Li3  2  0.1794  0.4058  0.5544  1
  Li  Li4  2  0.1800  0.9800  0.8994  1
  Li  Li5  2  0.3127  0.0151  0.5948  1
  Li  Li6  2  0.3236  0.5941  0.9454  1
  Li  Li7  2  0.3776  0.2307  0.0059  1
  Li  Li8  2  0.4051  0.3173  0.2423  1
  Li  Li9  2  0.4508  0.2626  0.4461  1
  Ni  Ni10  2  0.0001  0.9659  0.6457  1
  Ni  Ni11  2  0.0025  0.0485  0.1385  1
  Ni  Ni12  2  0.4953  0.0528  0.8606  1
  Ni  Ni13  2  0.4975  0.9573  0.3538  1
  P  P14  2  0.1419  0.3994  0.0963  1
  P  P15  2  0.1439  0.1059  0.4004  1
  P  P16  2  0.2014  0.2543  0.7566  1
  P  P17  2  0.2961  0.7510  0.7418  1
  P  P18  2  0.3528  0.6016  0.3970  1
  P  P19  2  0.3552  0.8928  0.0980  1
  O  O20  2  0.0419  0.9886  0.4645  1
  O  O21  2  0.0470  0.4493  0.1946  1
  O  O22  2  0.0484  0.3237  0.8020  1
  O  O23  2  0.0912  0.2393  0.0568  1
  O  O24  2  0.1013  0.2729  0.4321  1
  O  O25  2  0.1174  0.5248  0.0076  1
  O  O26  2  0.1251  0.0782  0.2786  1
  O  O27  2  0.1588  0.1283  0.6728  1
  O  O28  2  0.1757  0.6339  0.3779  1
  O  O29  2  0.1826  0.9123  0.0593  1
  O  O30  2  0.2042  0.6378  0.8099  1
  O  O31  2  0.2048  0.8207  0.6430  1
  O  O32  2  0.2918  0.1835  0.8559  1
  O  O33  2  0.2939  0.3734  0.6933  1
  O  O34  2  0.3163  0.0801  0.4379  1
  O  O35  2  0.3223  0.3896  0.1131  1
  O  O36  2  0.3508  0.8779  0.8224  1
  O  O37  2  0.3655  0.8944  0.2225  1
  O  O38  2  0.3737  0.4811  0.4899  1
  O  O39  2  0.4093  0.7331  0.0568  1
  O  O40  2  0.4284  0.7549  0.4290  1
  O  O41  2  0.4335  0.5293  0.2978  1
  O  O42  2  0.4484  0.6804  0.6939  1
  O  O43  2  0.4530  0.0201  0.0434  1
]