data_[Zn2Cu6Cl4F12]
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
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2665]
_cell_length_b [5.8502]
_cell_length_c [4.8875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnCu3(ClF3)2]
_chemical_formula_sum '[Zn2 Cu6 Cl4 F12]'
_cell_volume [349.4062]
_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  0.0000  0.0000  0.5000  1
  Cu  Cu1  4  0.2500  0.2500  0.5000  1
  Cu  Cu2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  4  0.1953  0.5000  0.8047  1
  F  F4  8  0.0548  0.2593  0.2557  1
  F  F5  4  0.1667  0.0000  0.6538  1
]