data_[Na8Li4Ge4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2079]
_cell_length_b [17.2958]
_cell_length_c [14.2825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2LiGeBr5]
_chemical_formula_sum '[Na8 Li4 Ge4 Br20]'
_cell_volume [1039.4575]
_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
[
  Na  Na0  4  0.0000  0.0987  0.6394  1
  Na  Na1  4  0.0000  0.1550  0.2973  1
  Li  Li2  4  0.0000  0.2282  0.0453  1
  Ge  Ge3  4  0.0000  0.4504  0.4417  1
  Br  Br4  4  0.0000  0.0678  0.0651  1
  Br  Br5  4  0.0000  0.2647  0.6777  1
  Br  Br6  4  0.0000  0.3026  0.4136  1
  Br  Br7  4  0.0000  0.3747  0.9858  1
  Br  Br8  4  0.0000  0.4898  0.2581  1
]