data_[Cu15Ge6]
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 [R3m]
_cell_length_a [4.1136]
_cell_length_b [4.1136]
_cell_length_c [19.7535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cu5Ge2]
_chemical_formula_sum '[Cu15 Ge6]'
_cell_volume [289.4838]
_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  0.1289  1.0
  Cu  Cu1  3  0.0000  0.0000  0.2589  1.0
  Cu  Cu2  3  0.0000  0.0000  0.6213  1.0
  Cu  Cu3  3  0.0000  0.0000  0.7448  1.0
  Cu  Cu4  3  0.0000  0.0000  0.8751  1.0
  Ge  Ge5  3  0.0000  0.0000  0.0045  1.0
  Ge  Ge6  3  0.0000  0.0000  0.4916  1.0
]