data_[Mg2Ge2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1277]
_cell_length_b [12.5375]
_cell_length_c [6.1171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgGeCl6]
_chemical_formula_sum '[Mg2 Ge2 Cl12]'
_cell_volume [442.0325]
_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
  Ge  Ge1  2  0.0000  0.5000  0.5000  1
  Cl  Cl2  8  0.2381  0.3684  0.7389  1
  Cl  Cl3  4  0.2299  0.5000  0.2707  1
]