data_[Si16Ni8O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [5.0535]
_cell_length_b [11.3080]
_cell_length_c [18.4015]
_cell_angle_alpha [90.0811]
_cell_angle_beta [90.0372]
_cell_angle_gamma [90.0540]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Si2NiO6]
_chemical_formula_sum '[Si16 Ni8 O48]'
_cell_volume [1051.5565]
_cell_formula_units_Z [8]
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
[
  Si  Si0  1  0.1441  0.1691  0.2314  1
  Si  Si1  1  0.1466  0.6691  0.2684  1
  Si  Si2  1  0.2395  0.8307  0.4823  1
  Si  Si3  1  0.2462  0.3289  0.0162  1
  Si  Si4  1  0.2556  0.3292  0.5160  1
  Si  Si5  1  0.2592  0.8286  0.9836  1
  Si  Si6  1  0.3541  0.1693  0.7323  1
  Si  Si7  1  0.3558  0.6687  0.7685  1
  Si  Si8  1  0.6443  0.3300  0.2308  1
  Si  Si9  1  0.6466  0.8309  0.2690  1
  Si  Si10  1  0.7410  0.6711  0.4829  1
  Si  Si11  1  0.7457  0.1711  0.0161  1
  Si  Si12  1  0.7550  0.1696  0.5172  1
  Si  Si13  1  0.7594  0.6704  0.9839  1
  Si  Si14  1  0.8541  0.3307  0.7313  1
  Si  Si15  1  0.8563  0.8300  0.7698  1
  Ni  Ni16  1  0.0373  0.9759  0.6265  1
  Ni  Ni17  1  0.0428  0.4749  0.8747  1
  Ni  Ni18  1  0.4569  0.4737  0.3742  1
  Ni  Ni19  1  0.4587  0.9762  0.1251  1
  Ni  Ni20  1  0.5401  0.5251  0.6249  1
  Ni  Ni21  1  0.5420  0.0254  0.8748  1
  Ni  Ni22  1  0.9593  0.5244  0.1251  1
  Ni  Ni23  1  0.9608  0.0280  0.3747  1
  O  O24  1  0.0416  0.7184  0.4678  1
  O  O25  1  0.0482  0.2168  0.0313  1
  O  O26  1  0.1544  0.2810  0.7198  1
  O  O27  1  0.1563  0.7803  0.7814  1
  O  O28  1  0.1748  0.1134  0.3125  1
  O  O29  1  0.1781  0.6097  0.1879  1
  O  O30  1  0.1881  0.4371  0.0723  1
  O  O31  1  0.1915  0.9373  0.4254  1
  O  O32  1  0.2079  0.5598  0.3231  1
  O  O33  1  0.2095  0.0599  0.1762  1
  O  O34  1  0.2137  0.8782  0.5655  1
  O  O35  1  0.2248  0.3726  0.9321  1
  O  O36  1  0.2752  0.3727  0.4320  1
  O  O37  1  0.2787  0.8733  0.0676  1
  O  O38  1  0.2887  0.0599  0.6774  1
  O  O39  1  0.2919  0.5592  0.8230  1
  O  O40  1  0.3107  0.4375  0.5723  1
  O  O41  1  0.3138  0.9370  0.9278  1
  O  O42  1  0.3247  0.1122  0.8134  1
  O  O43  1  0.3250  0.6125  0.6870  1
  O  O44  1  0.3441  0.2809  0.2182  1
  O  O45  1  0.3467  0.7807  0.2803  1
  O  O46  1  0.4560  0.2188  0.5319  1
  O  O47  1  0.4580  0.7169  0.9693  1
  O  O48  1  0.5417  0.7832  0.4705  1
  O  O49  1  0.5483  0.2833  0.0313  1
  O  O50  1  0.6548  0.2184  0.7201  1
  O  O51  1  0.6562  0.7179  0.7806  1
  O  O52  1  0.6750  0.3869  0.3122  1
  O  O53  1  0.6751  0.8912  0.1885  1
  O  O54  1  0.6832  0.5654  0.4251  1
  O  O55  1  0.6882  0.0628  0.0722  1
  O  O56  1  0.7096  0.4401  0.1767  1
  O  O57  1  0.7133  0.9402  0.3229  1
  O  O58  1  0.7251  0.6244  0.5663  1
  O  O59  1  0.7252  0.1274  0.9321  1
  O  O60  1  0.7647  0.1191  0.4346  1
  O  O61  1  0.7812  0.6286  0.0682  1
  O  O62  1  0.7891  0.4394  0.6763  1
  O  O63  1  0.7933  0.9386  0.8251  1
  O  O64  1  0.8054  0.0653  0.5766  1
  O  O65  1  0.8133  0.5618  0.9277  1
  O  O66  1  0.8232  0.3901  0.8119  1
  O  O67  1  0.8246  0.8894  0.6892  1
  O  O68  1  0.8444  0.2185  0.2182  1
  O  O69  1  0.8463  0.7188  0.2793  1
  O  O70  1  0.9562  0.2808  0.5308  1
  O  O71  1  0.9587  0.7815  0.9681  1
]