data_[Li16Si12Ni4O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.3683]
_cell_length_b [10.1440]
_cell_length_c [10.0135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li4Si3NiO9]
_chemical_formula_sum '[Li16 Si12 Ni4 O36]'
_cell_volume [748.0864]
_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  0.1446  0.6792  0.7102  1
  Li  Li1  4  0.2088  0.4079  0.2922  1
  Li  Li2  2  0.0000  0.0001  0.5000  1
  Li  Li3  2  0.0000  0.0075  0.0000  1
  Li  Li4  2  0.0000  0.3674  0.5000  1
  Li  Li5  2  0.0000  0.4493  0.0000  1
  Si  Si6  4  0.1884  0.6804  0.4460  1
  Si  Si7  4  0.2086  0.7230  0.0050  1
  Si  Si8  4  0.2256  0.8893  0.2491  1
  Ni  Ni9  4  0.0039  0.1756  0.2506  1
  O  O10  4  0.0611  0.3644  0.7173  1
  O  O11  4  0.0981  0.7755  0.3228  1
  O  O12  4  0.1587  0.1263  0.9102  1
  O  O13  4  0.1717  0.0339  0.2943  1
  O  O14  4  0.1808  0.0726  0.6204  1
  O  O15  4  0.1820  0.8688  0.0848  1
  O  O16  4  0.2230  0.2728  0.4380  1
  O  O17  4  0.2294  0.2653  0.1427  1
  O  O18  2  0.0000  0.6044  0.5000  1
  O  O19  2  0.0000  0.6495  0.0000  1
]