data_[Mn4Ge4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9076]
_cell_length_b [17.2390]
_cell_length_c [6.8055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnGeBr4]
_chemical_formula_sum '[Mn4 Ge4 Br16]'
_cell_volume [763.1064]
_cell_formula_units_Z [4]
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  4  0.0000  0.4304  0.7500  1.0
  Ge  Ge1  4  0.0000  0.0778  0.2500  1.0
  Br  Br2  8  0.2270  0.4491  0.2391  1.0
  Br  Br3  8  0.2494  0.1726  0.2334  1.0
]