# generated using pymatgen
data_Zn2CuC2NCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.07444384
_cell_length_b   10.07444384
_cell_length_c   10.07444384
_cell_angle_alpha   136.23571439
_cell_angle_beta   117.04459727
_cell_angle_gamma   79.81218563
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CuC2NCl6
_chemical_formula_sum   'Zn4 Cu2 C4 N2 Cl12'
_cell_volume   610.57693225
_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  1  0.02166600  0.36554500  0.02315400  1.0
  Zn  Zn1  1  0.84239100  0.99851200  0.47684600  1.0
  Zn  Zn2  1  0.47833400  0.50148800  0.34387900  1.0
  Zn  Zn3  1  0.65760900  0.13445500  0.15612100  1.0
  Cu  Cu4  1  0.78514000  0.53514000  0.25000000  1.0
  Cu  Cu5  1  0.71486000  0.96486000  0.75000000  1.0
  C  C6  1  0.24899500  0.16422500  0.41359100  1.0
  C  C7  1  0.25063300  0.83540300  0.08640900  1.0
  C  C8  1  0.25100500  0.66459700  0.91523000  1.0
  C  C9  1  0.24936700  0.33577500  0.58477000  1.0
  N  N10  1  0.24893300  0.99893300  0.25000000  1.0
  N  N11  1  0.25106700  0.50106700  0.75000000  1.0
  Cl  Cl12  1  0.79803900  0.47606500  0.99345700  1.0
  Cl  Cl13  1  0.98260800  0.80458200  0.50654300  1.0
  Cl  Cl14  1  0.70196100  0.69541800  0.67802500  1.0
  Cl  Cl15  1  0.51739200  0.02393500  0.82197500  1.0
  Cl  Cl16  1  0.25000000  0.58719600  0.33719600  1.0
  Cl  Cl17  1  0.75000000  0.91280400  0.16280400  1.0
  Cl  Cl18  1  0.03449100  0.28449100  0.75000000  1.0
  Cl  Cl19  1  0.46550900  0.21550900  0.25000000  1.0
  Cl  Cl20  1  0.85695500  0.38987300  0.36509200  1.0
  Cl  Cl21  1  0.52478200  0.49186400  0.13490800  1.0
  Cl  Cl22  1  0.64304500  0.00813600  0.53291800  1.0
  Cl  Cl23  1  0.97521800  0.11012700  0.96708200  1.0