data_[Li8Si4Ni4O16]
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 [P1]
_cell_length_a [5.3134]
_cell_length_b [8.1887]
_cell_length_c [8.2255]
_cell_angle_alpha [100.3273]
_cell_angle_beta [90.5371]
_cell_angle_gamma [92.0490]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2SiNiO4]
_chemical_formula_sum '[Li8 Si4 Ni4 O16]'
_cell_volume [351.8240]
_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  1  0.1752  0.2219  0.9690  1
  Li  Li1  1  0.1769  0.7193  0.4632  1
  Li  Li2  1  0.3128  0.0930  0.5934  1
  Li  Li3  1  0.3193  0.5971  0.0932  1
  Li  Li4  1  0.6840  0.6548  0.6573  1
  Li  Li5  1  0.6879  0.1545  0.1573  1
  Li  Li6  1  0.8173  0.2802  0.5331  1
  Li  Li7  1  0.8252  0.7827  0.0361  1
  Si  Si8  1  0.1684  0.4666  0.7131  1
  Si  Si9  1  0.1796  0.9688  0.2146  1
  Si  Si10  1  0.8237  0.0329  0.7876  1
  Si  Si11  1  0.8288  0.5332  0.2834  1
  Ni  Ni12  1  0.3200  0.8392  0.8387  1
  Ni  Ni13  1  0.3223  0.3420  0.3440  1
  Ni  Ni14  1  0.6693  0.4046  0.9095  1
  Ni  Ni15  1  0.6777  0.9065  0.4129  1
  O  O16  1  0.1288  0.0102  0.7623  1
  O  O17  1  0.1371  0.5164  0.2644  1
  O  O18  1  0.2006  0.3069  0.5610  1
  O  O19  1  0.2183  0.8130  0.0600  1
  O  O20  1  0.2943  0.6368  0.6601  1
  O  O21  1  0.2996  0.4288  0.8843  1
  O  O22  1  0.3049  0.1409  0.1665  1
  O  O23  1  0.3084  0.9266  0.3850  1
  O  O24  1  0.6903  0.0786  0.6193  1
  O  O25  1  0.6953  0.8632  0.8393  1
  O  O26  1  0.6965  0.3625  0.3296  1
  O  O27  1  0.7000  0.5784  0.1140  1
  O  O28  1  0.7989  0.6892  0.4402  1
  O  O29  1  0.8023  0.1919  0.9422  1
  O  O30  1  0.8600  0.4801  0.7330  1
  O  O31  1  0.8705  0.9818  0.2355  1
]