data_[Zn6Cu14]
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 [C2/m]
_cell_length_a [13.2382]
_cell_length_b [3.7548]
_cell_length_c [5.1848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn3Cu7]
_chemical_formula_sum '[Zn6 Cu14]'
_cell_volume [252.4742]
_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  0.1983  0.0000  0.6082  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0988  0.5000  0.8029  1.0
  Cu  Cu3  4  0.0998  0.5000  0.3039  1.0
  Cu  Cu4  4  0.2000  0.0000  0.1018  1.0
  Cu  Cu5  2  0.0000  0.0000  0.5000  1.0
]