# generated using pymatgen
data_Cu(N3Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39897657
_cell_length_b   5.39897657
_cell_length_c   5.39897657
_cell_angle_alpha   102.18564944
_cell_angle_beta   113.23230047
_cell_angle_gamma   113.23230047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu(N3Cl)2
_chemical_formula_sum   'Cu1 N6 Cl2'
_cell_volume   119.70399494
_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
  Cu  Cu0  1  0.00000000  0.00000000  0.00000000  1.0
  N  N1  1  0.00000000  0.22373000  0.77627000  1.0
  N  N2  1  0.55253900  0.77626900  0.77626900  1.0
  N  N3  1  0.44746100  0.22373100  0.22373100  1.0
  N  N4  1  0.00000000  0.77627000  0.22373000  1.0
  N  N5  1  0.00000000  0.28488900  0.28488900  1.0
  N  N6  1  0.00000000  0.71511100  0.71511100  1.0
  Cl  Cl7  1  0.50000000  0.25000000  0.75000000  1.0
  Cl  Cl8  1  0.50000000  0.75000000  0.25000000  1.0