data_[Cu14Ge6]
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 [C2/m]
_cell_length_a [13.4280]
_cell_length_b [3.7445]
_cell_length_c [5.3875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu7Ge3]
_chemical_formula_sum '[Cu14 Ge6]'
_cell_volume [264.5550]
_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  4  0.0959  0.5000  0.8070  1.0
  Cu  Cu1  4  0.1015  0.5000  0.3094  1.0
  Cu  Cu2  4  0.2006  0.0000  0.1084  1.0
  Cu  Cu3  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge4  4  0.1945  0.0000  0.6247  1.0
  Ge  Ge5  2  0.0000  0.0000  0.0000  1.0
]