data_[Mg2Ge4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1723]
_cell_length_b [3.9967]
_cell_length_c [8.4608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg(GeBr3)2]
_chemical_formula_sum '[Mg2 Ge4 Br12]'
_cell_volume [588.0693]
_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  0.5000  0.0000  1
  Ge  Ge1  4  0.1646  0.0000  0.3319  1
  Br  Br2  4  0.0046  0.0000  0.2238  1
  Br  Br3  4  0.1537  0.5000  0.0850  1
  Br  Br4  4  0.1672  0.5000  0.5677  1
]