data_[Na4Ge6Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [14.9610]
_cell_length_b [8.2307]
_cell_length_c [7.0742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ge3Br8]
_chemical_formula_sum '[Na4 Ge6 Br16]'
_cell_volume [833.1456]
_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
[
  Na  Na0  4  0.2373  0.5000  0.6506  1.0
  Ge  Ge1  4  0.0000  0.2595  0.0000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  8  0.1156  0.2372  0.3971  1.0
  Br  Br4  4  0.1125  0.5000  0.9242  1.0
  Br  Br5  4  0.1143  0.0000  0.8999  1.0
]