data_[Zn10Cu2]
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 [Cm]
_cell_length_a [9.8793]
_cell_length_b [2.7929]
_cell_length_c [6.3944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn5Cu]
_chemical_formula_sum '[Zn10 Cu2]'
_cell_volume [171.3620]
_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  0.1081  0.5000  0.7290  1.0
  Zn  Zn1  2  0.1631  0.5000  0.3252  1.0
  Zn  Zn2  2  0.2818  0.0000  0.0540  1.0
  Zn  Zn3  2  0.3343  0.0000  0.6700  1.0
  Zn  Zn4  2  0.4445  0.5000  0.3861  1.0
  Cu  Cu5  2  0.0016  0.0000  0.0023  1.0
]