data_[Zn6Cu5]
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 [P2/m]
_cell_length_a [6.5868]
_cell_length_b [15.0000]
_cell_length_c [9.0530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Zn6Cu5]
_chemical_formula_sum '[Zn6 Cu5]'
_cell_volume [893.2029]
_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  0.0419  0.5000  0.1370  1
  Zn  Zn1  2  0.1413  0.5000  0.4127  1
  Zn  Zn2  2  0.4203  0.5000  0.2260  1
  Cu  Cu3  2  0.2247  0.5000  0.6822  1
  Cu  Cu4  2  0.3176  0.5000  0.9563  1
  Cu  Cu5  1  0.5000  0.5000  0.5000  1
]