data_[Mg2Ge2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8588]
_cell_length_b [5.7045]
_cell_length_c [7.3742]
_cell_angle_alpha [111.6516]
_cell_angle_beta [108.4769]
_cell_angle_gamma [89.9979]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgGeF4]
_chemical_formula_sum '[Mg2 Ge2 F8]'
_cell_volume [178.5859]
_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  1  0.2504  0.3718  0.5007  1.0
  Mg  Mg1  1  0.7522  0.8208  0.5034  1.0
  Ge  Ge2  1  0.5442  0.9901  0.1181  1.0
  Ge  Ge3  1  0.9615  0.3650  0.8825  1.0
  F  F4  1  0.0446  0.1707  0.6181  1.0
  F  F5  1  0.0598  0.6552  0.6237  1.0
  F  F6  1  0.4366  0.5480  0.3830  1.0
  F  F7  1  0.4612  0.0618  0.3838  1.0
  F  F8  1  0.6068  0.4774  0.7652  1.0
  F  F9  1  0.7361  0.0410  0.7915  1.0
  F  F10  1  0.7735  0.7614  0.2157  1.0
  F  F11  1  0.8928  0.2238  0.2367  1.0
]