data_[Zn6Cu26]
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 [Amm2]
_cell_length_a [7.2064]
_cell_length_b [7.3518]
_cell_length_c [7.4263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Zn3Cu13]
_chemical_formula_sum '[Zn6 Cu26]'
_cell_volume [393.4411]
_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  4  0.2536  0.0000  0.9963  1.0
  Zn  Zn1  2  0.0000  0.0000  0.2578  1.0
  Cu  Cu2  8  0.2518  0.2497  0.2496  1.0
  Cu  Cu3  4  0.0000  0.2496  0.0011  1.0
  Cu  Cu4  4  0.2522  0.0000  0.5019  1.0
  Cu  Cu5  4  0.5000  0.2477  0.4997  1.0
  Cu  Cu6  2  0.0000  0.0000  0.7470  1.0
  Cu  Cu7  2  0.5000  0.0000  0.2516  1.0
  Cu  Cu8  2  0.5000  0.0000  0.7470  1.0
]