data_[Zn2Cu6Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5112]
_cell_length_b [4.8734]
_cell_length_c [6.8140]
_cell_angle_alpha [86.7660]
_cell_angle_beta [85.2330]
_cell_angle_gamma [66.1932]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZnCu3Ge]
_chemical_formula_sum '[Zn2 Cu6 Ge2]'
_cell_volume [136.5425]
_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
[
  Zn  Zn0  2  0.3739  0.3441  0.2293  1.0
  Cu  Cu1  2  0.0483  0.7331  0.9491  1.0
  Cu  Cu2  2  0.2117  0.5569  0.5861  1.0
  Cu  Cu3  2  0.4889  0.8052  0.1371  1.0
  Ge  Ge4  2  0.0770  0.1057  0.6855  1.0
]