data_[Cu6Si1Ge2]
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 [P-62m]
_cell_length_a [7.0292]
_cell_length_b [7.0292]
_cell_length_c [2.7748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Cu6SiGe2]
_chemical_formula_sum '[Cu6 Si1 Ge2]'
_cell_volume [118.7348]
_cell_formula_units_Z [1]
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  0.2905  0.5000  1
  Cu  Cu1  3  0.0000  0.6390  0.0000  1
  Si  Si2  1  0.0000  0.0000  0.0000  1
  Ge  Ge3  2  0.3333  0.6667  0.5000  1
]