data_[Zn2Cu9]
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
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.5494]
_cell_length_b [2.5494]
_cell_length_c [30.5954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Zn2Cu9]
_chemical_formula_sum '[Zn2 Cu9]'
_cell_volume [172.2126]
_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  0.3333  0.6667  0.3461  1
  Cu  Cu1  2  0.0000  0.0000  0.2037  1
  Cu  Cu2  2  0.3333  0.6667  0.1357  1
  Cu  Cu3  2  0.3333  0.6667  0.7283  1
  Cu  Cu4  2  0.3333  0.6667  0.9323  1
  Cu  Cu5  1  0.0000  0.0000  0.0000  1
]