data_[Mg2Tl4Ge2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5104]
_cell_length_b [7.7892]
_cell_length_c [13.1818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MgTl2GeBr6]
_chemical_formula_sum '[Mg2 Tl4 Ge2 Br12]'
_cell_volume [633.2215]
_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  0.5000  1.0
  Tl  Tl1  4  0.2292  0.5697  0.7498  1.0
  Ge  Ge2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1561  0.7091  0.4606  1.0
  Br  Br4  4  0.2545  0.1976  0.4608  1.0
  Br  Br5  4  0.3250  0.5098  0.2444  1.0
]