data_[Mg4Si2F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8379]
_cell_length_b [6.4781]
_cell_length_c [4.2059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2SiF8]
_chemical_formula_sum '[Mg4 Si2 F16]'
_cell_volume [240.7411]
_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  4  0.1251  0.5000  0.2542  1.0
  Si  Si1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.0913  0.1882  0.2187  1.0
  F  F3  4  0.1020  0.5000  0.7447  1.0
  F  F4  4  0.1521  0.0000  0.7539  1.0
]