data_[Mg16Si7H1O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7999]
_cell_length_b [8.4713]
_cell_length_c [11.6892]
_cell_angle_alpha [89.7949]
_cell_angle_beta [89.8920]
_cell_angle_gamma [89.7214]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg16Si7HO32]
_chemical_formula_sum '[Mg16 Si7 H1 O32]'
_cell_volume [574.3098]
_cell_formula_units_Z [1]
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
[
  Mg  Mg0  1  0.0100  0.5007  0.1230  1
  Mg  Mg1  1  0.0222  0.5265  0.8847  1
  Mg  Mg2  1  0.2462  0.2994  0.5049  1
  Mg  Mg3  1  0.2472  0.2493  0.7509  1
  Mg  Mg4  1  0.2482  0.2206  0.0032  1
  Mg  Mg5  1  0.2498  0.2440  0.2516  1
  Mg  Mg6  1  0.4926  0.5017  0.1220  1
  Mg  Mg7  1  0.4979  0.5028  0.8794  1
  Mg  Mg8  1  0.4988  0.9892  0.3750  1
  Mg  Mg9  1  0.5011  0.0014  0.6206  1
  Mg  Mg10  1  0.7470  0.7855  0.0009  1
  Mg  Mg11  1  0.7478  0.7649  0.7507  1
  Mg  Mg12  1  0.7498  0.7105  0.4976  1
  Mg  Mg13  1  0.7503  0.7576  0.2445  1
  Mg  Mg14  1  0.9951  0.0010  0.6209  1
  Mg  Mg15  1  0.9990  0.9902  0.3751  1
  Si  Si16  1  0.2492  0.8682  0.1250  1
  Si  Si17  1  0.2495  0.6376  0.6315  1
  Si  Si18  1  0.2502  0.8726  0.8679  1
  Si  Si19  1  0.2502  0.6317  0.3685  1
  Si  Si20  1  0.7400  0.1323  0.8740  1
  Si  Si21  1  0.7460  0.3568  0.6166  1
  Si  Si22  1  0.7498  0.1387  0.1344  1
  H  H23  1  0.8245  0.3726  0.7971  1
  O  O24  1  0.0108  0.7651  0.8719  1
  O  O25  1  0.0110  0.7453  0.6337  1
  O  O26  1  0.0116  0.7407  0.3688  1
  O  O27  1  0.0137  0.7609  0.1189  1
  O  O28  1  0.0377  0.2224  0.3838  1
  O  O29  1  0.2472  0.9984  0.7595  1
  O  O30  1  0.2486  0.0136  0.5003  1
  O  O31  1  0.2488  0.5431  0.5023  1
  O  O32  1  0.2492  0.9883  0.2339  1
  O  O33  1  0.2494  0.9710  0.9954  1
  O  O34  1  0.2503  0.5078  0.7411  1
  O  O35  1  0.2507  0.5025  0.2618  1
  O  O36  1  0.2530  0.4664  0.9999  1
  O  O37  1  0.4583  0.2211  0.3848  1
  O  O38  1  0.4854  0.7596  0.8716  1
  O  O39  1  0.4861  0.7610  0.1195  1
  O  O40  1  0.4871  0.7446  0.6334  1
  O  O41  1  0.4877  0.7402  0.3690  1
  O  O42  1  0.5024  0.2418  0.8755  1
  O  O43  1  0.5068  0.2508  0.6289  1
  O  O44  1  0.5106  0.2450  0.1290  1
  O  O45  1  0.7452  0.0085  0.7645  1
  O  O46  1  0.7462  0.4839  0.5189  1
  O  O47  1  0.7488  0.9566  0.5015  1
  O  O48  1  0.7495  0.0387  0.0029  1
  O  O49  1  0.7498  0.0065  0.2390  1
  O  O50  1  0.7503  0.5278  0.2228  1
  O  O51  1  0.7532  0.5397  0.9953  1
  O  O52  1  0.7553  0.4643  0.7511  1
  O  O53  1  0.9712  0.2499  0.8708  1
  O  O54  1  0.9867  0.2501  0.6288  1
  O  O55  1  0.9891  0.2441  0.1280  1
]