data_[Cu16Si2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0324]
_cell_length_b [6.0471]
_cell_length_c [11.8761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cu8SiGe2]
_chemical_formula_sum '[Cu16 Si2 Ge4]'
_cell_volume [289.5920]
_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
[
  Cu  Cu0  8  0.0000  0.2256  0.3575  1.0
  Cu  Cu1  4  0.0000  0.0000  0.1704  1.0
  Cu  Cu2  4  0.0000  0.2644  0.0000  1.0
  Si  Si3  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge4  4  0.0000  0.5000  0.1810  1.0
]