data_[Li8Fe8Ni4P12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  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 [C2]
_cell_length_a [14.3443]
_cell_length_b [8.9120]
_cell_length_c [8.3519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li2Fe2Ni(PO4)3]
_chemical_formula_sum '[Li8 Fe8 Ni4 P12 O48]'
_cell_volume [913.8297]
_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  0.2004  0.4499  0.8995  1
  Li  Li1  2  0.0000  0.1419  0.0000  1
  Li  Li2  2  0.0000  0.8478  0.5000  1
  Fe  Fe3  4  0.0967  0.7491  0.9019  1
  Fe  Fe4  4  0.1058  0.2522  0.3970  1
  Ni  Ni5  4  0.2469  0.7514  0.7441  1
  P  P6  4  0.1462  0.1018  0.8028  1
  P  P7  4  0.1557  0.9034  0.3113  1
  P  P8  2  0.0000  0.4419  0.0000  1
  P  P9  2  0.0000  0.5460  0.5000  1
  O  O10  4  0.0363  0.1436  0.7817  1
  O  O11  4  0.0449  0.8579  0.2829  1
  O  O12  4  0.0551  0.4465  0.4246  1
  O  O13  4  0.0635  0.5323  0.9336  1
  O  O14  4  0.0883  0.3307  0.1496  1
  O  O15  4  0.0897  0.6534  0.6493  1
  O  O16  4  0.1509  0.1635  0.6371  1
  O  O17  4  0.1686  0.0792  0.3137  1
  O  O18  4  0.1691  0.9291  0.8124  1
  O  O19  4  0.1740  0.8543  0.1542  1
  O  O20  4  0.2345  0.1659  0.9989  1
  O  O21  4  0.2411  0.8354  0.5059  1
]