data_[Mg2Si2H24O12F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5658]
_cell_length_b [9.5508]
_cell_length_c [8.4737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MgSiH12(OF)6]
_chemical_formula_sum '[Mg2 Si2 H24 O12 F12]'
_cell_volume [523.0446]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Si  Si1  2  0.5000  0.0000  0.5000  1
  H  H2  4  0.0428  0.5646  0.8211  1
  H  H3  4  0.1950  0.0286  0.7360  1
  H  H4  4  0.2483  0.1738  0.2049  1
  H  H5  4  0.2539  0.2339  0.0317  1
  H  H6  4  0.2674  0.7245  0.5239  1
  H  H7  4  0.3748  0.6061  0.6406  1
  O  O8  4  0.0614  0.0376  0.7715  1
  O  O9  4  0.1766  0.1726  0.0932  1
  O  O10  4  0.2651  0.6240  0.5481  1
  F  F11  4  0.2729  0.5940  0.9667  1
  F  F12  4  0.3714  0.1459  0.4139  1
  F  F13  4  0.4494  0.0507  0.6840  1
]