data_[Zn2Cu6Ge1]
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 [4.4636]
_cell_length_b [4.6006]
_cell_length_c [6.7862]
_cell_angle_alpha [73.5939]
_cell_angle_beta [74.8139]
_cell_angle_gamma [61.3108]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zn2Cu6Ge]
_chemical_formula_sum '[Zn2 Cu6 Ge1]'
_cell_volume [115.9414]
_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
[
  Zn  Zn0  2  0.2505  0.0412  0.8394  1
  Cu  Cu1  2  0.0890  0.2833  0.1669  1
  Cu  Cu2  2  0.3333  0.8317  0.4977  1
  Cu  Cu3  2  0.4285  0.6112  0.1659  1
  Ge  Ge4  1  0.0000  0.5000  0.5000  1
]