data_[Cu3Ge192]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [16.3291]
_cell_length_b [16.3291]
_cell_length_c [20.0016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CuGe64]
_chemical_formula_sum '[Cu3 Ge192]'
_cell_volume [4618.6849]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Ge  Ge1  36  0.0003  0.2504  0.8119  1
  Ge  Ge2  36  0.0005  0.2501  0.3128  1
  Ge  Ge3  18  0.0003  0.5001  0.1853  1
  Ge  Ge4  18  0.0042  0.5021  0.3097  1
  Ge  Ge5  18  0.0830  0.1660  0.4786  1
  Ge  Ge6  18  0.0831  0.1662  0.3538  1
  Ge  Ge7  18  0.0837  0.1674  0.8535  1
  Ge  Ge8  18  0.0867  0.1735  0.9784  1
  Ge  Ge9  6  0.0000  0.0000  0.1864  1
  Ge  Ge10  6  0.0000  0.0000  0.3116  1
]