data_[Na8Cu20Ge16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.1621]
_cell_length_b [9.4306]
_cell_length_c [15.6638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Na2Cu5Ge4]
_chemical_formula_sum '[Na8 Cu20 Ge16]'
_cell_volume [762.5311]
_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  8  0.0000  0.0000  0.1393  1.0
  Cu  Cu1  8  0.2500  0.2500  0.0000  1.0
  Cu  Cu2  8  0.2500  0.2500  0.2500  1.0
  Cu  Cu3  4  0.0000  0.0000  0.5000  1.0
  Ge  Ge4  16  0.0000  0.1626  0.3740  1.0
]