data_[Mn1Tl1Ge2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [P-1]
_cell_length_a [6.3663]
_cell_length_b [7.8131]
_cell_length_c [9.0019]
_cell_angle_alpha [97.5201]
_cell_angle_beta [93.7421]
_cell_angle_gamma [108.5877]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnTl(GeBr4)2]
_chemical_formula_sum '[Mn1 Tl1 Ge2 Br8]'
_cell_volume [418.0194]
_cell_formula_units_Z [1]
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
[
  Mn  Mn0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Ge  Ge2  2  0.2982  0.6669  0.1695  1.0
  Br  Br3  2  0.0534  0.7549  0.8310  1.0
  Br  Br4  2  0.2790  0.2749  0.8378  1.0
  Br  Br5  2  0.3130  0.7004  0.4456  1.0
  Br  Br6  2  0.3222  0.0195  0.1787  1.0
]